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7-oxolithocholate

Properties

Image

Occurences in reactions

MNX_ID

MNXM65054

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₂₄H₃₇O₄

charge

-1

mass

389.26973

reference

chebi:78605

InChIKey

DXOCDBGWDZAYRQ-AURDAFMXSA-M

InChI

InChI=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

SMILES

C[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@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78605 chebi:78605	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	3alpha-hydroxy-7-oxo-5beta-cholan-24-oate
seed.compound:cpd35610 seedM:cpd35610	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	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	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	7-oxolithocholic acid 3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid O4 ST 24:2
seedM:M_cpd35610	secondary/obsolete/fantasy identifier