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3-Oxo-5beta-chol-9(11)-en-24-oic Acid

PropertiesImage
MNX_IDMNXM27225 Image of MNXM27225
referencechebi:185648
formulaC24H36O3
global charge0
mol weight372.549
InChIKeyTYXMQFBZGAEZPJ-JVYWEBAWSA-N
InChIInChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,15-16,18-20H,4-10,12-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,15-16,18-20H,4-10,12-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,23+,24-/m1/s1 Image of MNXM27225
SMILES (mnx)[CH3:1][C@H:15]([CH2:4][CH2:9][C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@@H:18]3[CH2:6][CH2:5][C@@H:16]4[CH2:14][C:17](=[O:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C:21]3=[CH:11][CH2:13][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:185648
chebi:185648
TYXMQFBZGAEZPJ-JVYWEBAWSA-N 		3-Oxo-5beta-chol-9(11)-en-24-oic Acid
(4R)-4-[(5R,8S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010293
lipidmapsM:LMST04010293
TYXMQFBZGAEZPJ-JVYWEBAWSA-N 		3-Oxo-5beta-chol-9(11)-en-24-oic Acid
O3
ST 24:3