LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(d18:0/18:0)

Systematic Name

N-(octadecanoyl)-sphinganine-1-O-[myo-inositol-1-phosphoryl-6-D-mannopyranosyl-α1-2-myo-inositol-1-phosphate]

Synonyms

LM ID

LMSP03030115

Formula

C₅₄H₁₀₅NO₂₄P₂

Exact Mass

Calculate m/z

1213.650185

Sum Composition

M(IP)2C 36:0;O2

Abbrev Chains

M(IP)2C 18:0;O2/18:0

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)

CQLGILZUUXZWNV-OPKJRQPCSA-N

InChi (Click to copy)

InChI=1S/C54H105NO24P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(57)55-35(36(56)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)33-74-80(70,71)79-53-49(68)45(64)44(63)48(67)52(53)77-54-50(69)40(59)39(58)37(76-54)34-75-81(72,73)78-51-46(65)42(61)41(60)43(62)47(51)66/h35-37,39-54,56,58-69H,3-34H2,1-2H3,(H,55,57)(H,70,71)(H,72,73)/t35-,36+,37+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50-,51-,52+,53-,54+/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)CCCCCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCC