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CHEBI:142611 - lithocholate-3-O-β-D-glucoside(1−)

ChEBI IDCHEBI:142611
ChEBI Namelithocholate-3-O-β-D-glucoside(1−)
Stars
ASCII Namelithocholate-3-O-beta-D-glucoside(1-)
Last Modified27 February 2024
Submitterlaimo
DownloadsMolfile
FormulaC30H49O8
Net Charge-1
Average Mass537.714
Monoisotopic Mass537.34329
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C30H50O8/c1-16(4-9-24(32)33)20-7-8-21-19-6-5-17-14-18(10-12-29(17,2)22(19)11-13-30(20,21)3)37-28-27(36)26(35)25(34)23(15-31)38-28/h16-23,25-28,31,34-36H,4-15H2,1-3H3,(H,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,23-,25-,26+,27-,28-,29+,30-/m1/s1
InChIKeyOAKSTNPCHNFJFI-IPFQDVGCSA-M
ChEBI Ontology
Outgoing Relation(s)
lithocholate-3-O-β-D-glucoside(1−) (CHEBI:142611) has functional parent lithocholate (CHEBI:29744)
lithocholate-3-O-β-D-glucoside(1−) (CHEBI:142611) is a bile acid anion (CHEBI:36235)
Synonyms  Source
LCA 3-glucoside(1−)SUBMITTER
3α,5β-cholan-24-oate 3-O-(β-D-glucoside)(1−)SUBMITTER
3β-D-glucosido-lithocholate(1−)SUBMITTER
UniProt Name  Source
β-D-glucosyl-(1→3)-O-lithocholateUniProt
Citations