LIPID MAPS

Common Name

7beta,25-dihydroxy-cholestenoic acid

Systematic Name

3β,7β, 25-trihydroxycholest-5-en-26-oic acid

Synonyms

LM ID

LMST04030237

Status

Active

Exact Mass

Calculate m/z

448.318875

Formula

C₂₇H₄₄O₅

Abbrev

ST 27:2;O5

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)

UOADYMQCTKNNPV-KYCQZYQTSA-N

InChi (Click to copy)

InChI=1S/C27H44O5/c1-16(6-5-11-27(4,32)24(30)31)19-7-8-20-23-21(10-13-26(19,20)3)25(2)12-9-18(28)14-17(25)15-22(23)29/h15-16,18-23,28-29,32H,5-14H2,1-4H3,(H,30,31)/t16-,18+,19-,20+,21+,22+,23+,25+,26-,27?/m1/s1

SMILES (Click to copy)

[C@]12([C@@H](O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(O)(C)C(O)=O)CC[C@@]21[H])[H]

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Bile acid biosynthesis in Smith-Lemli-Opitz syndrome bypassing cholesterol: Potential importance of pathway intermediates.,
J Steroid Biochem Mol Biol, 2020

Pubmed ID: 33246156

DOI: 10.1016/j.jsbmb.2020.105794