LIPID MAPS

Structure Database (LMSD)

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Common Name

BA-delta5-3beta,7beta-diol 3betaS,7betaGlcNAc,24G

Systematic Name

3β-Sulfooxy-7β-N-acetylglucosaminylchol-5-en-24-oylglycine

Synonyms

LM ID

LMST04010470

Formula

C₃₃H₅₂N₂O₁₄S

Exact Mass

Calculate m/z

732.31393

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)

FEZITVCRUVCMGJ-LRYIRSLPSA-N

InChi (Click to copy)

InChI=1S/C33H52N2O14S/c1-16(4-7-24(37)34-14-25(38)39)19-5-6-20-26-21(9-11-33(19,20)3)32(2)10-8-18(49-50(44,45)46)12-17(32)13-22(26)47-30-27(35-31(42)43)29(41)28(40)23(15-36)48-30/h13,16,18-23,26-30,35-36,40-41H,4-12,14-15H2,1-3H3,(H,34,37)(H,38,39)(H,42,43)(H,44,45,46)/t16-,18+,19-,20+,21+,22+,23-,26+,27-,28-,29-,30-,32+,33-/m1/s1

SMILES (Click to copy)

C1C[C@H](OS(=O)(O)=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)NCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]12C