LIPID MAPS

Structure Database (LMSD)

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Common Name

BA-delta5-3beta,7beta-diol,7betaGlcNAc,24T

Systematic Name

3β-hydroxy-7β-N-acetylglucosaminylchol-5-en-24-oyltaurine

Synonyms

LM ID

LMST04010472

Formula

C₃₃H₅₄N₂O₁₂S

Exact Mass

Calculate m/z

702.33975

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

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

String Representations

InChiKey (Click to copy)

ULCAZHDNEHZTEZ-IBFZVVAFSA-N

InChi (Click to copy)

InChI=1S/C33H54N2O12S/c1-17(4-7-25(38)34-12-13-48(43,44)45)20-5-6-21-26-22(9-11-33(20,21)3)32(2)10-8-19(37)14-18(32)15-23(26)46-30-27(35-31(41)42)29(40)28(39)24(16-36)47-30/h15,17,19-24,26-30,35-37,39-40H,4-14,16H2,1-3H3,(H,34,38)(H,41,42)(H,43,44,45)/t17-,19+,20-,21+,22+,23+,24-,26+,27-,28-,29-,30-,32+,33-/m1/s1

SMILES (Click to copy)

C1C[C@H](O)CC2=C[C@H](O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3NC(=O)O)O)O)CO)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]12C