LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(d18:0/16:0(2OH))

Systematic Name

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

Synonyms

LM ID

LMSP03030120

Formula

C₅₂H₁₀₁NO₂₅P₂

Exact Mass

Calculate m/z

1201.6138

Sum Composition

M(IP)2C 34:0;O3

Abbrev Chains

M(IP)2C 18:0;O2/16:0;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)

ZWGARVHRYHJAAV-NEBVQICMSA-N

InChi (Click to copy)

InChI=1S/C52H101NO25P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(54)32(53-51(68)34(55)29-27-25-23-21-18-16-14-12-10-8-6-4-2)30-73-79(69,70)78-50-46(66)42(62)41(61)45(65)49(50)76-52-47(67)37(57)36(56)35(75-52)31-74-80(71,72)77-48-43(63)39(59)38(58)40(60)44(48)64/h32-50,52,54-67H,3-31H2,1-2H3,(H,53,68)(H,69,70)(H,71,72)/t32-,33+,34?,35+,36+,37-,38-,39-,40+,41-,42-,43+,44+,45+,46+,47-,48-,49+,50-,52+/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)CCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCC