LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(t20:0/20:0(2OH))

Systematic Name

N-(2-hydroxyeicosanoyl)-4R-hydroxyeicosasphinganine-1-O-[myo-inositol-1-phosphoryl-6-D-mannopyranosyl-α1-2-myo-inositol-1-phosphate]

Synonyms

LM ID

LMSP03030140

Formula

C₅₈H₁₁₃NO₂₆P₂

Exact Mass

Calculate m/z

1301.702612

Sum Composition

M(IP)2C 40:0;O4

Abbrev Chains

M(IP)2C 20:0;O3/20:0;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Saccharomyces cerevisiae (#4932)

Saccharomycetes (#4891)

Mass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae.,
Yeast, 2006

Pubmed ID: 16652392

DOI: 10.1002/yea.1362

String Representations

InChiKey (Click to copy)

OHKQEWNJWOKALW-RKIDKZKNSA-N

InChi (Click to copy)

InChI=1S/C58H113NO26P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(61)57(75)59-37(41(62)38(60)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-80-86(76,77)85-56-52(73)48(69)47(68)51(72)55(56)83-58-53(74)43(64)42(63)40(82-58)36-81-87(78,79)84-54-49(70)45(66)44(65)46(67)50(54)71/h37-56,58,60-74H,3-36H2,1-2H3,(H,59,75)(H,76,77)(H,78,79)/t37-,38+,39?,40+,41-,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53-,54-,55+,56-,58+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](COP(O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)(=O)O)O1)([H])(NC(=O)C(O)CCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC