LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3β,7α,12α-Trihydroxychol-5-en-24-oic Acid

Synonyms

LM ID

LMST04010227

Formula

C₂₄H₃₈O₅

Exact Mass

Calculate m/z

406.271925

Sum Composition

ST 24:2;O5

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

NKRVAQNWPRPQDK-SZHOAPCDSA-N

InChi (Click to copy)

InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h11,13,15-20,22,25-27H,4-10,12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,19-,20+,22+,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@H](O)C=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Familial giant cell hepatitis associated with synthesis of 3 beta, 7 alpha-dihydroxy-and 3 beta,7 alpha, 12 alpha-trihydroxy-5-cholenoic acids.,
J Clin Invest, 1987

Pubmed ID: 3470305