LIPID MAPS

Systematic Name

12α-Hydroxy-3-oxochola-4,6-dien-24-oic Acid

Synonyms

LM ID

LMST04010245

Status

Active

Exact Mass

Calculate m/z

386.24571

Formula

C₂₄H₃₄O₄

Abbrev

ST 24:4;O4

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)

DJVAMCYXFUWMLS-QUPGBHKMSA-N

InChi (Click to copy)

InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])C=CC2=CC(=O)C1

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Determination of 3-oxo-delta4- and 3-oxo-delta4,6-bile acids and related compounds in biological fluids of infants with cholestasis by gas chromatography-mass spectrometry.,
J Chromatogr B Biomed Sci Appl, 1997

Pubmed ID: 9200514