LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(d18:0/22:0(2OH))

Systematic Name

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

Synonyms

LM ID

LMSP03030123

Formula

C₅₈H₁₁₃NO₂₅P₂

Exact Mass

Calculate m/z

1285.7077

Sum Composition

M(IP)2C 40:0;O3

Abbrev Chains

M(IP)2C 18:0;O2/22:0;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)

LMUQVCLDJDOOKQ-AKBSVLNQSA-N

InChi (Click to copy)

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