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3-oxo-5beta-cholan-24-oate

MNXM734586 is deprecated and replaced by MNXM734585
PropertiesImage
MNX_IDMNXM734585 Image of MNXM734585
referencechebi:11867
formulaC24H37O3
global charge-1
mol weight373.557
InChIKeyKIQFUORWRVZTHT-OPTMKGCMSA-M
InChIInChI=1S/C24H38O3/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/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,18+,19-,20+,21+,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)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O3/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/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 Image of MNXM734585
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@H:21]3[CH2:11][CH2:13][C@:24]12[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:11867
chebi:11867
KIQFUORWRVZTHT-OPTMKGCMSA-M 		3-oxo-5beta-cholan-24-oate
3-oxo-5beta-cholanate

sabiork.compound:6434
sabiorkM:6434
KIQFUORWRVZTHT-OPTMKGCMSA-M 		3-Oxo-5beta-cholanate

kegg.compound:C03070
keggC:C03070
KIQFUORWRVZTHT-OPTMKGCMSA-N 		3-Oxo-5beta-cholanate
3-Oxo-5beta-cholan-24-oate

seed.compound:cpd01967
seedM:cpd01967
KIQFUORWRVZTHT-OPTMKGCMSA-M 		3-Oxo-5beta-cholanate
3-dehydrolithocholate
3-ketocholanate
3-ketocholanic acid
3-oxo-5beta-cholan-24-oate
3-oxo-5beta-cholanate

metacyc.compound:3-OXO-5-BETA-CHOLANATE
metacycM:3-OXO-5-BETA-CHOLANATE
KIQFUORWRVZTHT-OPTMKGCMSA-M 		3-dehydrolithocholate
3-ketocholanate
3-ketocholanic acid
3-oxo-5beta-cholan-24-oate
3-oxo-5beta-cholanate
3-oxocholanate

SLM:000485652
slm:000485652
KIQFUORWRVZTHT-OPTMKGCMSA-M 		3-oxo-5beta-cholan-24-oate

CHEBI:17639
chebi:17639
KIQFUORWRVZTHT-OPTMKGCMSA-N 		3-oxo-5beta-cholanic acid
3-Oxo-5beta-cholanate
3-ketolithocholic acid
3-oxo-5beta-cholan-24-oic acid
3-oxocholan-24-oic acid

lipidmaps:LMST04010127
lipidmapsM:LMST04010127
KIQFUORWRVZTHT-OPTMKGCMSA-N 		Dehydrolithocholic Acid
3-KLCA
3-Oxo-5beta-cholan-24-oic Acid
3-keto LCA
3-keto Lithocholate
3-keto Lithocholic Acid
3-oxo LCA
3-oxo Lithocholate
3-oxo Lithocholic Acid
DHLCA
O3
ST 24:2

chebi:1623
chebi:20151
chebi:20152
keggC:M_C03070
seedM:M_cpd01967 		secondary/obsolete/fantasy identifier