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lithocholate sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5211

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₄H₃₈O₆S

charge

-2

mass

454.24001

reference

chebi:133940

InChIKey

AXDXVEYHEODSPN-HVATVPOCSA-L

InChI

InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/p-2/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)[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:133940 chebi:133940	lithocholate sulfate (3alpha,5beta)-3-(sulfonatooxy)cholan-24-oate 3alpha-(sulfonatooxy)-5beta-cholan-24-oate lithocholate 3-sulfate(2-) lithocholate sulfate(2-) sulfolithocholate(2-)
lipidmaps:LMST05020015 lipidmapsM:LMST05020015	lithocholic acid sulfate (3alpha,5beta)-3-(sulfooxy)cholan-24-oic acid 3alpha-sulfooxy-5beta-cholan-24-oic acid O3 S ST 24:1 lithocholic acid 3-sulfate sulfolithocholic acid
reactome:R-ALL-176555 reactomeM:R-ALL-176555 CHEBI:35421 chebi:35421	lithocholic acid sulfate (3alpha,5beta)-3-(sulfooxy)cholan-24-oic acid 3alpha-sulfooxy-5beta-cholan-24-oic acid lithocholic acid 3-sulfate sulfolithocholic acid