LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d20:3(4E,8E,10E)(9Me)/16:1(3E)(2OH[R]))

Systematic Name

N-(2R-hydroxy-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E,10E-trienine

Synonyms

LM ID

LMSP02010230

Formula

C₃₇H₆₇NO₄

Exact Mass

Calculate m/z

589.50701

Sum Composition

Cer 37:4;O3

Abbrev Chains

Cer 21:3;O2/16:1;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Submitted by B Spenceley & D Campopiano

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sorangium cellulosum So ce56 (#448385)

Unusual outer membrane lipid composition of the gram-negative, lipopolysaccharide-lacking myxobacterium Sorangium cellulosum So ce56.,
J Biol Chem, 2011

Pubmed ID: 21321121

DOI: 10.1074/jbc.m110.194209

String Representations

InChiKey (Click to copy)

XMTDWUYMZIBHRF-XIQNXWSYSA-N

InChi (Click to copy)

InChI=1S/C37H67NO4/c1-4-6-8-10-12-14-15-16-18-20-22-26-31-36(41)37(42)38-34(32-39)35(40)30-27-23-25-29-33(3)28-24-21-19-17-13-11-9-7-5-2/h24,26-31,34-36,39-41H,4-23,25,32H2,1-3H3,(H,38,42)/b28-24+,30-27+,31-26+,33-29+/t34-,35+,36+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC([C@H](O)/C=C/CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/C=C/CCCCCCCCC