ENTRY C01035 Compound NAME 4-Guanidinobutanoate; 4-Guanidinobutyric acid FORMULA C5H11N3O2 EXACT_MASS 145.0851 MOL_WEIGHT 145.16 REACTION R01989 R01990 R03177 R03180 PATHWAY map00330 Arginine and proline metabolism map01100 Metabolic pathways ENZYME 1.2.1.54 2.1.4.1 3.5.1.4 3.5.3.7 DBLINKS PubChem: 4278 ChEBI: 15728 PDB-CCD: ALG NIKKAJI: J196.182I ATOM 10 1 N1a N 32.9700 -25.3400 2 C2c C 31.7800 -24.6400 3 N1b N 30.5200 -25.3400 4 C1b C 29.3300 -24.6400 5 C1b C 28.1400 -25.3400 6 C1b C 26.8800 -24.6400 7 C6a C 25.6900 -25.3400 8 O6a O 24.4300 -24.6400 9 N2a N 31.7800 -23.2400 10 O6a O 25.6900 -26.7400 BOND 9 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 2 9 2 9 7 10 2 /// ENTRY C01033 Compound NAME 2-Methylbutanoyl-CoA; 2-Methylbutyryl-CoA FORMULA C26H44N7O17P3S EXACT_MASS 851.1727 MOL_WEIGHT 851.65 REACTION R03169 R06480 R06481 PATHWAY map00522 Biosynthesis of 12-, 14- and 16-membered macrolides map01100 Metabolic pathways map01110 Biosynthesis of secondary metabolites MODULE M00777 Avermectin biosynthesis, 2-methylbutanoyl-CoA/isobutyryl-CoA => 6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1a/1b aglycone => avermectin A1a/B1a/A1b/B1b ENZYME 1.3.8.5 BRITE Lipids [BR:br08002] FA Fatty acyls FA07 Fatty esters FA0705 Fatty acyl CoAs C01033 2-Methylbutanoyl-CoA DBLINKS PubChem: 4276 ChEBI: 15477 LIPIDMAPS: LMFA07050190 NIKKAJI: J1.204.889K ATOM 54 1 C1c C 29.5624 -26.6700 2 C5a C 30.7749 -25.9700 3 S2a S 31.9873 -26.6700 4 C1b C 33.1997 -25.9700 5 C1b C 34.4122 -26.6700 6 N1b N 35.6246 -25.9700 7 C5a C 36.8370 -26.6700 8 C1b C 38.0495 -25.9700 9 C1b C 39.2619 -26.6700 10 N1b N 40.4744 -25.9700 11 C5a C 41.6868 -26.6700 12 C1c C 42.8992 -25.9700 13 C1d C 44.1117 -26.6700 14 C1b C 45.3241 -25.9700 15 O2b O 46.5365 -26.6700 16 O5a O 30.7749 -24.5702 17 O5a O 36.8370 -28.0699 18 O5a O 41.6868 -28.0696 19 O1a O 42.8992 -24.5700 20 C1a C 44.1117 -25.2700 21 C1a C 44.1117 -28.0700 22 P1b P 47.9365 -26.6700 23 O1c O 49.3365 -26.6700 24 O1c O 47.9365 -28.0700 25 C1y C 41.4400 -21.7000 26 C1y C 42.8400 -21.7000 27 C1y C 43.2726 -20.3685 28 O2x O 42.1400 -19.5456 29 C1y C 41.0074 -20.3685 30 C1b C 44.5922 -19.9397 31 O1a O 40.6171 -22.8326 32 O2b O 43.6629 -22.8326 33 P1b P 45.0629 -22.8326 34 O1c O 45.0629 -21.4326 35 O1c O 46.4629 -22.8326 36 O1c O 45.0629 -24.2326 37 C8y C 36.8900 -18.5500 38 C8y C 36.8900 -19.9500 39 N4y N 39.3149 -19.9500 40 C8x C 39.3149 -18.5500 41 N5x N 38.1024 -17.8500 42 C8y C 35.6776 -17.8500 43 N5x N 34.4651 -18.5500 44 C8x C 34.4651 -19.9500 45 N5x N 35.6776 -20.6500 46 N1a N 35.6776 -16.4502 47 O2b O 46.5745 -20.3720 48 P1b P 47.9745 -20.3720 49 O1c O 47.9745 -18.9720 50 O1c O 49.3745 -20.3720 51 O2c O 47.9745 -23.5920 52 C1b C 28.3333 -25.9602 53 C1a C 27.1292 -26.6553 54 C1a C 29.5623 -28.0698 BOND 56 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 2 16 2 16 7 17 2 17 11 18 2 18 12 19 1 #Down 19 13 20 1 20 13 21 1 21 15 22 1 22 22 23 2 23 22 24 1 24 25 26 1 25 26 27 1 26 27 28 1 27 28 29 1 28 25 29 1 29 27 30 1 #Down 30 25 31 1 #Up 31 26 32 1 #Up 32 32 33 1 33 33 34 1 34 33 35 1 35 33 36 2 36 37 38 2 37 38 39 1 38 39 40 1 39 40 41 2 40 37 41 1 41 37 42 1 42 42 43 2 43 43 44 1 44 44 45 2 45 38 45 1 46 42 46 1 47 29 39 1 #Down 48 30 47 1 49 47 48 1 50 48 49 1 51 48 50 2 52 48 51 1 53 22 51 1 54 1 52 1 55 52 53 1 56 1 54 1 /// ENTRY C01031 Compound NAME S-Formylglutathione FORMULA C11H17N3O7S EXACT_MASS 335.0787 MOL_WEIGHT 335.34 REACTION R00527 R06983 R07140 PATHWAY map00680 Methane metabolism map01100 Metabolic pathways map01120 Microbial metabolism in diverse environments ENZYME 1.1.1.284 3.1.2.12 DBLINKS CAS: 50409-81-9 PubChem: 4274 ChEBI: 16225 NIKKAJI: J1.171.612A ATOM 22 1 C1c C 28.4354 -15.2951 2 C5a C 29.6033 -14.6243 3 N1b N 27.2613 -14.6243 4 C1b C 28.4541 -16.8980 5 N1b N 31.0012 -15.6120 6 O5a O 29.6033 -13.4106 7 C5a C 26.0933 -15.2951 8 S2a S 27.1557 -17.6496 9 C1b C 24.9192 -14.6243 10 O5a O 26.0933 -16.7199 11 C4a C 27.1557 -18.9977 12 C1b C 23.7512 -15.2951 13 O4a O 25.9877 -19.6749 14 C1c C 22.5836 -14.6243 15 C6a C 21.4093 -15.2951 16 N1a N 22.5836 -13.2700 17 O6a O 20.2414 -14.6181 18 O6a O 21.4155 -16.7199 19 C1b C 32.2399 -14.9077 20 C6a C 33.4636 -15.6141 21 O6a O 34.6872 -14.9077 22 O6a O 33.4636 -17.0268 BOND 21 1 1 2 1 2 1 3 1 3 1 4 1 #Down 4 2 5 1 5 2 6 2 6 3 7 1 7 4 8 1 8 7 9 1 9 7 10 2 10 8 11 1 11 9 12 1 12 11 13 2 13 12 14 1 14 14 15 1 15 14 16 1 #Up 16 15 17 1 17 15 18 2 18 5 19 1 19 19 20 1 20 20 21 1 21 20 22 2 /// ENTRY C09209 Compound NAME Harman FORMULA C12H10N2 EXACT_MASS 182.0844 MOL_WEIGHT 182.22 REACTION R08482 PATHWAY map00901 Indole alkaloid biosynthesis map01063 Biosynthesis of alkaloids derived from shikimate pathway BRITE Phytochemical compounds [BR:br08003] Alkaloids Alkaloids derived from tryptophan and anthranilic acid Indole alkaloids C09209 Harman DBLINKS CAS: 486-84-0 PubChem: 11400 ChEBI: 5623 KNApSAcK: C00001736 PDB-CCD: CN9 NIKKAJI: J1.550D ATOM 14 1 C8y C 27.0214 -17.1354 2 C8y C 25.7023 -17.5877 3 C8y C 27.8733 -18.2504 4 C8x C 27.5626 -15.8495 5 C8y C 25.6585 -18.9892 6 C8x C 24.4889 -16.8982 7 N4x N 27.0662 -19.3896 8 C8y C 29.2607 -18.0724 9 C8x C 28.9501 -15.6705 10 C8x C 24.5301 -19.7069 11 C8x C 23.2787 -17.6232 12 N5x N 29.8020 -16.7855 13 C1a C 30.1057 -19.1932 14 C8x C 23.2993 -19.0247 BOND 16 1 1 2 1 2 1 3 2 3 1 4 1 4 2 5 2 5 2 6 1 6 3 7 1 7 3 8 1 8 4 9 2 9 5 10 1 10 6 11 2 11 8 12 2 12 8 13 1 13 10 14 2 14 5 7 1 15 9 12 1 16 11 14 1 /// ENTRY C04156 Compound NAME tRNA containing N1-methyladenine FORMULA C11H16N5O7P(C5H8O6PR)n(C5H8O6PR)n REACTION R00596 DBLINKS PubChem: 6840 ATOM 50 1 C1y C 18.3400 -23.3800 2 C1y C 19.7400 -23.3800 3 C1y C 20.1600 -22.0500 4 C1y C 19.0400 -21.2100 5 O2x O 17.9200 -22.0500 6 O2b O 20.7200 -24.3600 7 C1b C 17.1500 -24.0800 8 R R 18.3400 -20.0200 9 O2b O 15.7500 -24.0800 10 P1b P 14.3500 -24.0800 11 O1c O 14.3500 -25.4800 12 O1c O 14.3500 -22.6800 13 O1c O 12.9500 -24.0800 14 C1y C 27.6500 -23.6600 15 C1y C 29.0500 -23.6600 16 C1y C 29.4700 -22.3300 17 C1y C 28.3500 -21.4900 18 O2x O 27.2300 -22.3300 19 O2b O 29.8200 -24.5000 20 C1b C 26.4600 -24.3600 21 O2b O 25.0600 -24.3600 22 P1b P 23.6600 -24.3600 23 O1c O 23.6600 -25.7600 24 O1c O 23.6600 -22.9600 25 C1y C 36.3300 -23.8000 26 C1y C 37.7300 -23.8000 27 C1y C 38.1500 -22.4700 28 C1y C 37.0300 -21.6300 29 O2x O 35.9100 -22.4700 30 O1a O 38.7100 -24.7800 31 C1b C 35.1400 -24.5000 32 R R 36.3300 -20.4400 33 O2b O 33.7400 -24.5000 34 P1b P 32.3400 -24.5000 35 O1c O 32.3400 -25.9000 36 O1c O 32.3400 -23.1000 37 C8y C 26.6000 -18.4100 38 C8y C 26.6000 -19.8100 39 N5x N 25.4100 -20.5100 40 C8x C 24.1500 -19.8100 41 N4y N 24.1500 -18.4100 42 C8y C 25.4100 -17.7100 43 N4y N 27.9300 -20.2300 44 C8x C 28.7700 -19.1100 45 N5x N 27.9300 -17.9900 46 N2a N 25.4100 -16.3100 47 O1a O 21.1499 -21.0601 48 O1a O 30.2499 -21.2001 49 O1a O 39.1399 -21.4801 50 C1a C 22.9376 -17.7100 BOND 54 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 2 6 1 #Down 7 1 7 1 #Up 8 4 8 1 #Up 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 10 13 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 14 18 1 19 15 19 1 #Down 20 14 20 1 #Up 21 20 21 1 22 21 22 1 23 22 23 2 24 22 24 1 25 22 6 1 26 25 26 1 27 26 27 1 28 27 28 1 29 28 29 1 30 25 29 1 31 26 30 1 #Down 32 25 31 1 #Up 33 28 32 1 #Up 34 31 33 1 35 33 34 1 36 34 35 2 37 34 36 1 38 34 19 1 39 37 38 2 40 38 39 1 41 39 40 2 42 40 41 1 43 41 42 1 44 37 42 1 45 38 43 1 46 43 44 1 47 44 45 2 48 37 45 1 49 42 46 2 50 17 43 1 #Up 51 3 47 1 #Down 52 16 48 1 #Down 53 27 49 1 #Down 54 41 50 1 BRACKET 1 14.0000 -26.7400 14.0000 -19.3900 1 22.1200 -19.3900 22.1200 -26.7400 1 n ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 48 REPEAT 1 2 31.9900 -27.1600 31.9900 -19.8100 2 40.1100 -19.8100 40.1100 -27.1600 2 n ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 50 REPEAT 2 /// ENTRY C04157 Compound NAME tRNA containing N1-methylguanine; N1-Methylguanine in tRNA FORMULA C11H16N5O8P(C5H8O6PR)n(C5H8O6PR)n COMMENT Generic compound in reaction hierarchy 3'-adjacent to the anticodon (position 37) in tRNA N1-Methylguanine in tRNA(Phe) [CPD:C20688] REACTION R00597 ENZYME 2.1.1.228 DBLINKS PubChem: 6841 ATOM 51 1 C1y C 18.3400 -23.0300 2 C1y C 19.7400 -23.0300 3 C1y C 20.1600 -21.7000 4 C1y C 19.0400 -20.8600 5 O2x O 17.9200 -21.7000 6 O2b O 20.7200 -24.0100 7 C1b C 17.1500 -23.7300 8 R R 18.3400 -19.6700 9 O2b O 15.7500 -23.7300 10 P1b P 14.3500 -23.7300 11 O1c O 14.3500 -25.1300 12 O1c O 14.3500 -22.3300 13 O1c O 12.9500 -23.7300 14 C1y C 27.6500 -23.3100 15 C1y C 29.0500 -23.3100 16 C1y C 29.4700 -21.9800 17 C1y C 28.3500 -21.1400 18 O2x O 27.2300 -21.9800 19 O2b O 29.8200 -24.1500 20 C1b C 26.4600 -24.0100 21 O2b O 25.0600 -24.0100 22 P1b P 23.6600 -24.0100 23 O1c O 23.6600 -25.4100 24 O1c O 23.6600 -22.6100 25 C1y C 36.3300 -23.4500 26 C1y C 37.7300 -23.4500 27 C1y C 38.1500 -22.1200 28 C1y C 37.0300 -21.2800 29 O2x O 35.9100 -22.1200 30 O1a O 38.7100 -24.4300 31 C1b C 35.1400 -24.1500 32 R R 36.3300 -20.0900 33 O2b O 33.7400 -24.1500 34 P1b P 32.3400 -24.1500 35 O1c O 32.3400 -25.5500 36 O1c O 32.3400 -22.7500 37 C8y C 27.9300 -17.9900 38 C8y C 27.9300 -19.3900 39 N5x N 26.7400 -20.0900 40 C8y C 25.4800 -19.3900 41 N4y N 25.4800 -17.9900 42 C8y C 26.7400 -17.2900 43 N4y N 29.2600 -19.8100 44 C8x C 30.1000 -18.6900 45 N5x N 29.2600 -17.5700 46 N1a N 24.2900 -20.0900 47 O5x O 26.7400 -15.8900 48 O1a O 21.1499 -20.7101 49 O1a O 30.4599 -20.9901 50 O1a O 39.1399 -21.1301 51 C1a C 24.2676 -17.2900 BOND 55 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 2 6 1 #Down 7 1 7 1 #Up 8 4 8 1 #Up 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 10 13 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 14 18 1 19 15 19 1 #Down 20 14 20 1 #Up 21 20 21 1 22 21 22 1 23 22 23 2 24 22 24 1 25 22 6 1 26 25 26 1 27 26 27 1 28 27 28 1 29 28 29 1 30 25 29 1 31 26 30 1 #Down 32 25 31 1 #Up 33 28 32 1 #Up 34 31 33 1 35 33 34 1 36 34 35 2 37 34 36 1 38 34 19 1 39 37 38 2 40 38 39 1 41 39 40 2 42 40 41 1 43 41 42 1 44 37 42 1 45 38 43 1 46 43 44 1 47 44 45 2 48 37 45 1 49 40 46 1 50 42 47 2 51 17 43 1 #Up 52 3 48 1 #Down 53 16 49 1 #Down 54 27 50 1 #Down 55 41 51 1 BRACKET 1 14.0000 -26.3900 14.0000 -19.0400 1 22.1200 -19.0400 22.1200 -26.3900 1 n ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 49 REPEAT 1 2 31.9900 -26.8100 31.9900 -19.4600 2 40.1100 -19.4600 40.1100 -26.8100 2 n ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 51 REPEAT 2 /// ENTRY C06484 Compound NAME 4,5-cis-Dihydroxy-1,2-dithiacyclohexane; Oxidized dithioerythritol FORMULA C4H8O2S2 EXACT_MASS 151.9966 MOL_WEIGHT 152.24 REACTION R05072 ENZYME 2.8.1.5 DBLINKS PubChem: 8715 ChEBI: 28059 NIKKAJI: J89.346C ATOM 8 1 C1y C 15.1900 -13.6500 2 C1y C 15.1900 -15.0500 3 C1x C 16.4024 -15.7500 4 S3x S 17.6149 -15.0500 5 S3x S 17.6149 -13.6500 6 C1x C 16.4024 -12.9500 7 O1a O 13.9776 -12.9500 8 O1a O 13.9776 -15.7500 BOND 8 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 1 7 1 #Up 8 2 8 1 #Up /// ENTRY C01780 Compound NAME Aldosterone; 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al FORMULA C21H28O5 EXACT_MASS 360.1937 MOL_WEIGHT 360.44 REMARK Same as: D10528 REACTION R03263 R03713 R03714 R08949 R08953 PATHWAY map00140 Steroid hormone biosynthesis map01100 Metabolic pathways map04925 Aldosterone synthesis and secretion map04960 Aldosterone-regulated sodium reabsorption map07225 Glucocorticoid and mineralocorticoid receptor agonists/antagonists MODULE M00108 C21-Steroid hormone biosynthesis, progesterone => corticosterone/aldosterone NETWORK nt06019 Steroid hormone biosynthesis nt06310 CRH-ACTH-cortisol signaling nt06316 Renin-angiotensin-aldosterone signaling ENZYME 1.3.1.3 1.14.15.4 1.14.15.5 BRITE Compounds with biological roles [BR:br08001] Steroids 21-Carbon atoms Pregnane derivatives C01780 Aldosterone Hormones and transmitters Steroid hormones Mineralocorticoids C01780 Aldosterone Lipids [BR:br08002] ST Sterol lipids ST02 Steroids ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives C01780 Aldosterone Anatomical Therapeutic Chemical (ATC) classification [BR:br08303(D10528)] H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS H02 CORTICOSTEROIDS FOR SYSTEMIC USE H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN H02AA Mineralocorticoids H02AA01 Aldosterone D10528 Aldosterone (INN) Drug groups [BR:br08330(D10528)] Anti-inflammatory DG01955 Corticosteroid D10528 Aldosterone Target-based classification of drugs [BR:br08310(D10528)] Nuclear receptors Estrogen like receptors 3-Ketosteroid receptor NR3C2 (MR) D10528 Aldosterone (INN) DBLINKS CAS: 52-39-1 PubChem: 4910 ChEBI: 27584 LIPIDMAPS: LMST02030026 PDB-CCD: AS4 NIKKAJI: J4.130K ATOM 26 1 C1z C 27.5594 -21.6461 2 C1y C 27.5594 -23.0076 3 C1y C 28.7457 -20.9622 4 C1x C 26.3790 -20.9622 5 C4a C 27.5537 -20.2843 6 C1y C 26.3790 -23.6855 7 C1x C 29.9204 -23.0076 8 C1x C 29.9204 -21.6461 9 C5a C 28.7517 -19.5714 10 C1y C 25.1927 -21.6461 11 O4a O 26.3497 -19.5891 12 C1y C 25.1927 -23.0076 13 C1x C 26.3731 -25.0530 14 C1b C 29.9555 -18.8818 15 O5a O 27.5477 -18.8761 16 O1a O 24.0121 -20.9622 17 C1z C 24.0064 -23.6855 18 C1x C 25.1927 -25.7369 19 O1a O 31.1594 -19.5774 20 C2y C 24.0064 -25.0530 21 C1x C 22.8375 -23.0076 22 C1a C 23.9947 -22.3240 23 C2x C 22.8375 -25.7369 24 C1x C 21.6511 -23.6855 25 C5x C 21.6511 -25.0530 26 O5x O 20.4707 -25.7369 BOND 29 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 #Up 5 2 6 1 6 2 7 1 7 3 8 1 8 3 9 1 #Up 9 4 10 1 10 5 11 2 11 6 12 1 12 6 13 1 13 9 14 1 14 9 15 2 15 10 16 1 #Up 16 12 17 1 17 13 18 1 18 14 19 1 19 17 20 1 20 17 21 1 21 17 22 1 #Up 22 20 23 2 23 21 24 1 24 23 25 1 25 25 26 2 26 7 8 1 27 10 12 1 28 18 20 1 29 24 25 1 /// ENTRY C06485 Compound NAME 1,5-Anhydro-D-fructose FORMULA C6H10O5 EXACT_MASS 162.0528 MOL_WEIGHT 162.14 REACTION R05682 R08194 R09694 R09696 ENZYME 1.1.1.263 1.1.1.292 4.2.1.110 4.2.1.111 DBLINKS CAS: 75414-43-6 PubChem: 8716 ChEBI: 16715 PDB-CCD: NHF NIKKAJI: J398.667E ATOM 11 1 C1y C 20.2270 -16.3075 2 C1y C 20.2270 -17.7074 3 C1y C 21.4392 -18.4073 4 C5x C 22.6516 -17.7074 5 C1x C 22.6516 -16.3075 6 O2x O 21.4392 -15.6076 7 O5x O 23.8825 -18.4183 8 O1a O 21.4392 -19.8069 9 C1b C 19.0147 -15.6076 10 O1a O 19.0147 -18.4073 11 O1a O 17.8194 -16.2979 BOND 11 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 4 7 2 8 3 8 1 #Up 9 1 9 1 #Up 10 2 10 1 #Down 11 9 11 1 /// ENTRY C00099 Compound NAME beta-Alanine; 3-Aminopropionic acid; 3-Aminopropanoate FORMULA C3H7NO2 EXACT_MASS 89.0477 MOL_WEIGHT 89.09 REMARK Same as: D07561 REACTION R00489 R00904 R00905 R00906 R00907 R00908 R00909 R00910 R00911 R00912 R00913 R00914 R00915 R00916 R00917 R01164 R01166 R02473 R02474 R02741 R03286 R03288 R03935 R09379 R09648 R10821 PATHWAY map00240 Pyrimidine metabolism map00410 beta-Alanine metabolism map00640 Propanoate metabolism map00770 Pantothenate and CoA biosynthesis map01100 Metabolic pathways map01110 Biosynthesis of secondary metabolites map01240 Biosynthesis of cofactors map04080 Neuroactive ligand-receptor interaction map04974 Protein digestion and absorption MODULE M00046 Pyrimidine degradation, uracil => beta-alanine, thymine => 3-aminoisobutanoate M00119 Pantothenate biosynthesis, valine/L-aspartate => pantothenate M00913 Pantothenate biosynthesis, 2-oxoisovalerate/spermine => pantothenate ENZYME 1.2.1.3 1.2.1.5 1.2.1.19 1.5.1.26 2.6.1.18 2.6.1.19 2.6.1.55 2.6.1.120 2.8.3.- 3.4.13.4 3.4.13.5 3.4.13.18 3.4.13.20 3.5.1.6 3.5.1.21 3.5.1.22 3.5.1.100 3.5.3.17 4.1.1.11 4.1.1.15 6.3.2.1 6.3.2.11 6.3.2.23 6.3.2.36 6.3.2.44 BRITE Compounds with biological roles [BR:br08001] Peptides Amino acids Other amino acids C00099 beta-Alanine Amines Biogenic amines C00099 beta-Alanine DBLINKS CAS: 107-95-9 PubChem: 3399 ChEBI: 16958 KNApSAcK: C00001333 PDB-CCD: BAL NIKKAJI: J4.070C ATOM 6 1 C1b C 25.6778 -16.8919 2 C6a C 24.4732 -16.1936 3 C1b C 26.8940 -16.1936 4 O6a O 23.2571 -16.8978 5 O6a O 24.4732 -14.7912 6 N1a N 28.1045 -16.8919 BOND 5 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 2 5 3 6 1 ///