LIPID MAPS

Structure Database (LMSD)

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Common Name

Glc-10/10/10/12-gly

Systematic Name

N-((((3R-O-β-d-glucopyranosyl-decanoyloxy)-3R-decanoyloxy)-3R-decanoyloxy)-dodecanoyl)-glycine

Synonyms

LM ID

LMFA07090174

Formula

C₅₀H₉₁NO₁₅

Exact Mass

Calculate m/z

945.638874

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

QPVZTXOMMUJWCI-UOXKESHZSA-N

InChi (Click to copy)

InChI=1S/C50H91NO15/c1-5-9-13-17-18-22-26-27-37(31-42(53)51-35-43(54)55)62-44(56)32-38(28-23-19-14-10-6-2)63-45(57)33-39(29-24-20-15-11-7-3)64-46(58)34-40(30-25-21-16-12-8-4)65-50-49(61)48(60)47(59)41(36-52)66-50/h37-41,47-50,52,59-61H,5-36H2,1-4H3,(H,51,53)(H,54,55)/t37-,38-,39-,40-,41-,47-,48+,49-,50-/m1/s1

SMILES (Click to copy)

C(C[C@H](OC(C[C@H](OC(=O)C[C@@H](CCCCCCC)OC(=O)C[C@@H](CCCCCCC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CCCCCCC)=O)CCCCCCCCC)(=O)NCC(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Alcanivorax borkumensis (#59754)

Gammaproteobacteria (#1236)

Identification and quantification of biosurfactants produced by the marine bacterium Alcanivorax borkumensis by hyphenated techniques.,
Anal Bioanal Chem, 2023

Pubmed ID: 37819435