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5beta-Chola-3,11-dien-24-oic Acid

PropertiesImage
MNX_IDMNXM23983 Image of MNXM23983
referencechebi:193348
formulaC24H36O2
global charge0
mol weight356.55
InChIKeyJAPZTFSJMJNCBN-LVVAJZGHSA-N
InChIInChI=1S/C24H36O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4,6,13,15-21H,5,7-12,14H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H36O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4,6,13,15-21H,5,7-12,14H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 Image of MNXM23983
SMILES (mnx)[CH3:1][C@H:16]([CH2:7][CH2:12][C:22](=[O:25])[OH:26])[C@H:19]1[CH2:10][CH2:11][C@H:20]2[C@@H:18]3[CH2:9][CH2:8][C@@H:17]4[CH:6]=[CH:4][CH2:5][CH2:14][C@:23]4([CH3:2])[C@H:21]3[CH:13]=[CH:15][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:193348
chebi:193348
JAPZTFSJMJNCBN-LVVAJZGHSA-N 		5beta-Chola-3,11-dien-24-oic Acid
(4R)-4-[(5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010388
lipidmapsM:LMST04010388
JAPZTFSJMJNCBN-LVVAJZGHSA-N 		5beta-Chola-3,11-dien-24-oic Acid
O2
ST 24:3