LIPID MAPS

Structure Database (LMSD)

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Common Name

Glycohyocholic acid

Systematic Name

N-(3α,6α,7α-Trihydroxy-5β-cholan-24-oyl)-glycine

Synonyms

GHCA

LM ID

LMST05030021

Formula

C₂₆H₄₃NO₆

Exact Mass

Calculate m/z

465.309039

Sum Composition

ST 24:1;O4;Gly

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZQYUKJFJPJDMMR-ZDWCHQGWSA-N

InChi (Click to copy)

InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16-,17+,18+,19+,22+,23-,24+,25-,26-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(NCC(O)=O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)[C@H](O)[C@]2([H])C[C@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sus scrofa (#9823)

Mammalia (#40674)

PREPARATIVE ISOLATION AND PURIFICATION OF THREE GLYCINE-CONJUGATED CHOLIC ACIDS FROM PULVIS FELLIS SUIS BY HIGH-SPEED COUNTERCURRENT CHROMATOGRAPHY COUPLED WITH ELSD DETECTION.,
J Liq Chromatogr Relat Technol, 2012

Pubmed ID: 23008527