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3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid

PropertiesImage
MNX_IDMNXM25816 Image of MNXM25816
referencechebi:173212
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyZQPPREINMPDUKK-IMPNNSMHSA-N
InChIInChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h6,8,14-16,18,20-21,25-26H,4-5,7,9-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC=C2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
MNX internals
InChI (mnx)InChI=1/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h6,8,14-16,18,20-21,25-26H,4-5,7,9-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 Image of MNXM25816
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:22](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH:8]=[C:19]2[C:17]3=[CH:6][CH2:5][C@@H:15]4[CH2:12][C@H:16]([OH:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C@H:20]3[CH2:13][C@H:21]([OH:26])[C@:24]12[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173212
chebi:173212
ZQPPREINMPDUKK-IMPNNSMHSA-N 		3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid
(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010348
lipidmapsM:LMST04010348
ZQPPREINMPDUKK-IMPNNSMHSA-N 		3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid
O4
ST 24:3