LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(t20:0/22:0(2OH))

Systematic Name

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

Synonyms

LM ID

LMSP03030141

Formula

C₆₀H₁₁₇NO₂₆P₂

Exact Mass

Calculate m/z

1329.733915

Sum Composition

M(IP)2C 42:0;O4

Abbrev Chains

M(IP)2C 20:0;O3/22:0;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

String Representations

InChiKey (Click to copy)

FWUVGEFJBPFZTQ-WEBOXXNBSA-N

InChi (Click to copy)

InChI=1S/C60H117NO26P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-41(63)59(77)61-39(43(64)40(62)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-82-88(78,79)87-58-54(75)50(71)49(70)53(74)57(58)85-60-55(76)45(66)44(65)42(84-60)38-83-89(80,81)86-56-51(72)47(68)46(67)48(69)52(56)73/h39-58,60,62-76H,3-38H2,1-2H3,(H,61,77)(H,78,79)(H,80,81)/t39-,40+,41?,42+,43-,44+,45-,46-,47-,48+,49-,50-,51+,52+,53+,54+,55-,56-,57+,58-,60+/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)CCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC