LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

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

Systematic Name

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

Synonyms

LM ID

LMSP03030146

Formula

C₅₈H₁₁₃NO₂₅P₂

Exact Mass

Calculate m/z

1285.7077

Sum Composition

M(IP)2C 40:0;O3

Abbrev Chains

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

Status

Active

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

String Representations

InChiKey (Click to copy)

PPBYYMWQDUIAFG-TWIWAYGUSA-N

InChi (Click to copy)

InChI=1S/C58H113NO25P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-41(61)59-38(42(62)39(60)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)36-79-85(75,76)84-57-53(73)49(69)48(68)52(72)56(57)82-58-54(74)44(64)43(63)40(81-58)37-80-86(77,78)83-55-50(70)46(66)45(65)47(67)51(55)71/h38-40,42-58,60,62-74H,3-37H2,1-2H3,(H,59,61)(H,75,76)(H,77,78)/t38-,39+,40+,42-,43+,44-,45-,46-,47+,48-,49-,50+,51+,52+,53+,54-,55-,56+,57-,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)CCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC