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7,12-Dioxo-5alpha-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM27955 Image of MNXM27955
referencechebi:178722
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyWHQYZHCEDYYAAN-RHOMOTLWSA-N
InChIInChI=1S/C24H36O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-18,22H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H36O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-18,22H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18+,22+,23+,24-/m1/s1 Image of MNXM27955
SMILES (mnx)[CH3:1][C@H:14]([CH2:7][CH2:10][C:21](=[O:27])[OH:28])[C@H:16]1[CH2:8][CH2:9][C@H:17]2[C@H:22]3[C@H:18]([CH2:13][C:20](=[O:26])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:11][CH2:5][CH2:4][CH2:6][C@@H:15]1[CH2:12][C:19]3=[O:25]
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:178722
chebi:178722
WHQYZHCEDYYAAN-RHOMOTLWSA-N 		7,12-Dioxo-5alpha-cholan-24-oic Acid
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010141
lipidmapsM:LMST04010141
WHQYZHCEDYYAAN-RHOMOTLWSA-N 		7,12-Dioxo-5alpha-cholan-24-oic Acid
O4
ST 24:3