LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

M(IP)2C(t18:0/16:0)

Systematic Name

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

Synonyms

LM ID

LMSP03030108

Formula

C₅₂H₁₀₁NO₂₅P₂

Exact Mass

Calculate m/z

1201.6138

Sum Composition

M(IP)2C 34:0;O3

Abbrev Chains

M(IP)2C 18:0;O3/16:0

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)

HBQDKHLNXVYCIU-DLAVAAFFSA-N

InChi (Click to copy)

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