LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(t20:0/18:0(2OH))

Systematic Name

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

Synonyms

LM ID

LMSP03030139

Formula

C₅₆H₁₀₉NO₂₆P₂

Exact Mass

Calculate m/z

1273.671315

Sum Composition

M(IP)2C 38:0;O4

Abbrev Chains

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

PLCKHAQLQDPPFZ-RGTIRJPWSA-N

InChi (Click to copy)

InChI=1S/C56H109NO26P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(58)39(60)35(57-55(73)37(59)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-78-84(74,75)83-54-50(71)46(67)45(66)49(70)53(54)81-56-51(72)41(62)40(61)38(80-56)34-79-85(76,77)82-52-47(68)43(64)42(63)44(65)48(52)69/h35-54,56,58-72H,3-34H2,1-2H3,(H,57,73)(H,74,75)(H,76,77)/t35-,36+,37?,38+,39-,40+,41-,42-,43-,44+,45-,46-,47+,48+,49+,50+,51-,52-,53+,54-,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)C(O)CCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC