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12alpha-hydroxy-3-oxo-5beta-cholan-24-oate

PropertiesImageOccurences in reactions
MNX_IDMNXM29311Image of MNXM29311
#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
formulaC24H37O4
charge-1
mass389.556
referencechebi:87734
InChIKeyWMUMZOAFCDOTRW-OVEHVULHSA-M
InChIInChI=1S/C24H38O4/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/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1
SMILES[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:16](=[O:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C@H:20]3[CH2:13][C@H:21]([OH:26])[C@:24]12[CH3:3]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:87734
chebi:87734 		12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
(5beta,12alpha)-12-hydroxy-3-oxocholan-24-oate
3-oxodeoxycholate
lipidmaps:LMST04010168
lipidmapsM:LMST04010168 		12alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
O4
ST 24:2
SLM:000501378
slm:000501378 		12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
seed.compound:cpd35799
seedM:cpd35799 		12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
3-dehydrodeoxycholate
hmdb:HMDB0062742 12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid
(4R)-4-[(1S,2S,7R,10R,11S,14R,15R,16S)-16-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
(5b,12a)-12-Hydroxy-3-oxocholan-24-Oate
(5b,12a)-12-Hydroxy-3-oxocholan-24-Oic acid
(5beta,12alpha)-12-Hydroxy-3-oxocholan-24-Oate
(5beta,12alpha)-12-Hydroxy-3-oxocholan-24-Oic acid
(5beta,12alpha)-12-hydroxy-3-oxocholan-24-Oate
(5beta,12alpha)-12-hydroxy-3-oxocholan-24-Oic acid
12a-Hydroxy-3-keto-5b-cholan-24-Oate
12a-Hydroxy-3-keto-5b-cholan-24-Oic acid
12a-Hydroxy-3-oxo-5b-cholan-24-Oate
12a-Hydroxy-3-oxo-5b-cholan-24-Oic acid
12a-Hydroxy-3-oxo-5b-cholanoate
12a-Hydroxy-3-oxo-5b-cholanoic acid
12alpha-Hydroxy-3-keto-5beta-cholan-24-Oate
12alpha-Hydroxy-3-keto-5beta-cholan-24-Oic acid
12alpha-Hydroxy-3-oxo-5beta-cholan-24-Oate
12alpha-Hydroxy-3-oxo-5beta-cholanoate
12alpha-Hydroxy-3-oxo-5beta-cholanoic acid
12alpha-hydroxy-3-keto-5beta-cholan-24-Oate
12alpha-hydroxy-3-keto-5beta-cholan-24-Oic acid
12alpha-hydroxy-3-oxo-5beta-cholan-24-Oate
12alpha-hydroxy-3-oxo-5beta-cholan-24-Oic acid
12alpha-hydroxy-3-oxo-5beta-cholanoate
12alpha-hydroxy-3-oxo-5beta-cholanoic acid
3-Dehydrodeoxycholate
3-Dehydrodeoxycholic acid
3-Oxodeoxycholate
3-Oxodeoxycholic acid
CHEBI:88104
chebi:88104 		12alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid
(5beta,12alpha)-12-hydroxy-3-oxocholan-24-oic acid
12alpha-Hydroxy-3-oxo-5beta-cholanoic acid
12alpha-hydroxy-3-keto-5beta-cholan-24-oic acid
3-dehydrodeoxycholic acid
3-oxodeoxycholic acid
metacyc.compound:CPD-18798
metacycM:CPD-18798 		3-dehydrodeoxycholate
12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
hmdb:HMDB62742
seedM:M_cpd35799 		secondary/obsolete/fantasy identifier