LIPID MAPS

Structure Database (LMSD)

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Common Name

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

Systematic Name

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

Synonyms

LM ID

LMSP03030121

Formula

C₅₄H₁₀₅NO₂₅P₂

Exact Mass

Calculate m/z

1229.6451

Sum Composition

M(IP)2C 36:0;O3

Abbrev Chains

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

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)

MICZBULZYXXMCY-FGYCKTEMSA-N

InChi (Click to copy)

InChI=1S/C54H105NO25P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(57)53(70)55-34(35(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-75-81(71,72)80-52-48(68)44(64)43(63)47(67)51(52)78-54-49(69)39(59)38(58)37(77-54)33-76-82(73,74)79-50-45(65)41(61)40(60)42(62)46(50)66/h34-52,54,56-69H,3-33H2,1-2H3,(H,55,70)(H,71,72)(H,73,74)/t34-,35+,36?,37+,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,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)C(O)CCCCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCC