LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(t18:0/20:0)

Systematic Name

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

Synonyms

LM ID

LMSP03030110

Formula

C₅₆H₁₀₉NO₂₅P₂

Exact Mass

Calculate m/z

1257.6764

Sum Composition

M(IP)2C 38:0;O3

Abbrev Chains

M(IP)2C 18:0;O3/20:0

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)

HODFQEGGSVSHNZ-KGPLGAFDSA-N

InChi (Click to copy)

InChI=1S/C56H109NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(59)57-36(40(60)37(58)32-30-28-26-24-22-16-14-12-10-8-6-4-2)34-77-83(73,74)82-55-51(71)47(67)46(66)50(70)54(55)80-56-52(72)42(62)41(61)38(79-56)35-78-84(75,76)81-53-48(68)44(64)43(63)45(65)49(53)69/h36-38,40-56,58,60-72H,3-35H2,1-2H3,(H,57,59)(H,73,74)(H,75,76)/t36-,37+,38+,40-,41+,42-,43-,44-,45+,46-,47-,48+,49+,50+,51+,52-,53-,54+,55-,56+/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)CCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC