Marvin 10170717452D 15 14 0 0 1 0 999 V2000 1.4289 -0.1650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.1650 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1270 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 1 1 0 0 0 0 2 7 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 6 0 0 0 4 8 1 0 0 0 0 3 5 1 0 0 0 0 5 4 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 1 13 -1 M END > CHEBI:29032 > (R)-pantothenate > A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group. > 3 > CHEBI:11008; CHEBI:18700 > pantothenate; (R)-Pantothenate; (R)-pantothenate; (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-) > 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate > C9H16NO5 > 218.22708 > 218.10340 > -1 > CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O > InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1 > GHOKWGTUZJEAQD-ZETCQYMHSA-M > 20938-62-9 > 775395 > 3907450 > 20938-62-9 > PANTOTHENATE > 15565250; 16042590 $$$$