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3alpha-Hydroxy-11-oxo-5beta-chol-8-en-24-oic Acid

PropertiesImage
MNX_IDMNXM28548 Image of MNXM28548
referencechebi:178705
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyBCIMSGFSMGEVGY-YLDMDQPTSA-N
InChIInChI=1S/C24H36O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-16,18-19,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3
MNX internals
InChI (mnx)InChI=1/C24H36O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-16,18-19,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,23+,24-/m1/s1 Image of MNXM28548
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:21](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C:17]3=[C:22]([C:20](=[O:26])[CH2:13][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:11][CH2:10][C@@H:16]([OH:25])[CH2:12][C@H:15]1[CH2:5][CH2:6]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:178705
chebi:178705
BCIMSGFSMGEVGY-YLDMDQPTSA-N 		3alpha-Hydroxy-11-oxo-5beta-chol-8-en-24-oic Acid
(4R)-4-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010253
lipidmapsM:LMST04010253
BCIMSGFSMGEVGY-YLDMDQPTSA-N 		3alpha-Hydroxy-11-oxo-5beta-chol-8-en-24-oic Acid
O4
ST 24:3