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3beta-Hydroxy-7-oxochol-5-en-24-oic Acid

PropertiesImage
MNX_IDMNXM28301 Image of MNXM28301
referencechebi:178721
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyJHFXTNJNQOZGEJ-HICUSVRDSA-N
InChIInChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h13-14,16-19,22,25H,4-12H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h13-14,16-19,22,25H,4-12H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,22+,23+,24-/m1/s1 Image of MNXM28301
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:7][C:21](=[O:27])[OH:28])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@H:22]3[C@H:19]([CH2:9][CH2:11][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:10][CH2:8][C@H:16]([OH:25])[CH2:12][C:15]1=[CH:13][C:20]3=[O:26]
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:178721
chebi:178721
JHFXTNJNQOZGEJ-HICUSVRDSA-N 		3beta-Hydroxy-7-oxochol-5-en-24-oic Acid
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010394
lipidmapsM:LMST04010394
JHFXTNJNQOZGEJ-HICUSVRDSA-N 		3beta-Hydroxy-7-oxochol-5-en-24-oic Acid
O4
ST 24:3