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7-oxolithocholate

PropertiesImage
MNX_IDMNXM65054 Image of MNXM65054
referencechebi:78605
formulaC24H37O4
global charge-1
mol weight389.556
InChIKeyDXOCDBGWDZAYRQ-AURDAFMXSA-M
InChIInChI=1S/C24H38O4/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/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,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[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O4/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/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1 Image of MNXM65054
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@H:15]1[CH2:13][C:20]3=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78605
chebi:78605
DXOCDBGWDZAYRQ-AURDAFMXSA-M
7-oxolithocholate
(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oate
7-ketolithocholate
7-oxo-3alpha-hydroxy-5beta-cholan-24-oate

sabiork.compound:24750
sabiorkM:24750
3alpha-Hydroxy-7-oxo-5beta-cholanate

SLM:000485391
slm:000485391
DXOCDBGWDZAYRQ-AURDAFMXSA-M
3alpha-hydroxy-7-oxo-5beta-cholan-24-oate

seed.compound:cpd35610
seedM:cpd35610
DXOCDBGWDZAYRQ-AURDAFMXSA-M
3alpha-hydroxy-7-oxo-5beta-cholan-24-oate
7-ketolithocholate
7-oxo-3alpha-hydroxy-5beta-cholan-24-oate
7-oxolithocholate

metacyc.compound:CPD-17275
metacycM:CPD-17275
DXOCDBGWDZAYRQ-AURDAFMXSA-M
7-oxolithocholate
3alpha-hydroxy-7-oxo-5beta-cholan-24-oate
7-dehydrochenodeoxycholate
7-ketolithocholate
7-oxo-3alpha-hydroxy-5beta-cholan-24-oate

CHEBI:82679
chebi:82679
DXOCDBGWDZAYRQ-AURDAFMXSA-N
7-oxolithocholic acid
(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid
3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid
3alpha-Hydroxy-7-oxo-5beta-cholanic acid
3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid
7-Ketolithocholic acid
7-oxo-3alpha-hydroxycholan-24-oic acid
Nutriacholic acid

lipidmaps:LMST04010150
lipidmapsM:LMST04010150
DXOCDBGWDZAYRQ-AURDAFMXSA-N
7-oxolithocholic acid
3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid
7-Ketolithocholic acid
7-ketoLCA
O4
ST 24:2

seedM:M_cpd35610
secondary/obsolete/fantasy identifier