LIPID MAPS

Structure Database (LMSD)

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Common Name

PI-Cer(d16:0(15Me(3OH))/14:0(13Me(2OH))

Systematic Name

N-(3-hydroxy-13-methyltetradecanoyl)-15-methylhexadecasphinganine-1-phospho-(1'-myo-inositol)

Synonyms

LM ID

LMSP03030157

Formula

C₃₈H₇₆NO₁₂P

Exact Mass

Calculate m/z

769.510517

Sum Composition

IPC 32:0;O3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sphingobacterium spiritivorum (#258)

Sphingobacteriia (#117747)

Structural analysis of sphingophospholipids derived from Sphingobacterium spiritivorum, the type species of genus Sphingobacterium.,
Biochim Biophys Acta, 2003

Pubmed ID: 14729071

String Representations

InChiKey (Click to copy)

DKTAZOYEQSJJKE-FRTRQSQBSA-N

InChi (Click to copy)

InChI=1S/C38H76NO12P/c1-27(2)22-18-14-10-6-5-7-12-16-20-24-30(40)29(26-50-52(48,49)51-37-35(45)33(43)32(42)34(44)36(37)46)39-38(47)31(41)25-21-17-13-9-8-11-15-19-23-28(3)4/h27-37,40-46H,5-26H2,1-4H3,(H,39,47)(H,48,49)/t29?,30?,31?,32-,33-,34+,35-,36-,37-/m1/s1

SMILES (Click to copy)

C(COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)(NC(C(O)CCCCCCCCCCC(C)C)=O)C(O)CCCCCCCCCCCC(C)C