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9(11),(5beta)-Cholenic acid-3alpha-ol-12-one

PropertiesImage
MNX_IDMNXM24939 Image of MNXM24939
referencechebi:166725
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyRMEZJKHOZLUOHB-OZEXFWQTSA-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/h13-19,25H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C
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/h13-19,25H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,23+,24-/m1/s1 Image of MNXM24939
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:22](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:6][CH2:5][C@@H:15]4[CH2:12][C@H:16]([OH:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C:20]3=[CH:13][C:21](=[O: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:166725
chebi:166725
RMEZJKHOZLUOHB-OZEXFWQTSA-N 		9(11),(5beta)-Cholenic acid-3alpha-ol-12-one
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010237
lipidmapsM:LMST04010237
RMEZJKHOZLUOHB-OZEXFWQTSA-N 		3alpha-Hydroxy-12-oxo-5beta-chol-9(11)-en-24-oic Acid
O4
ST 24:3