LIPID MAPS

Common Name

Chenodeoxycholic acid 3-glucuronide

Systematic Name

(3α,5β,7α)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-β-D-Glucopyranosiduronic acid

Synonyms

LM ID

LMST05010028

Status

Active

Exact Mass

Calculate m/z

568.32475

Formula

C₃₀H₄₈O₁₀

Abbrev

ST 24:1;O4;GlcA

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

GDNGOAUIUTXUES-BWGRGVIUSA-N

InChi (Click to copy)

InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1

SMILES (Click to copy)

O([C@H]1C[C@@]2([H])C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)([H])CCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O1)O

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Bile acid glucuronides, II[1]. Isolation and identification of a chenodeoxycholic acid glucuronide from human plasma in intrahepatic cholestasis,
Hoppe Seylers Z Physiol Chem, 1976

Pubmed ID: 1254247