LIPID MAPS

Structure Database (LMSD)

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Common Name

M(IP)2C(d20:0/22:0)

Systematic Name

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

Synonyms

LM ID

LMSP03030135

Formula

C₆₀H₁₁₇NO₂₄P₂

Exact Mass

Calculate m/z

1297.744085

Sum Composition

M(IP)2C 42:0;O2

Abbrev Chains

M(IP)2C 20:0;O2/22:0

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)

XVHREFKNRDANHR-IYIBVXGMSA-N

InChi (Click to copy)

InChI=1S/C60H117NO24P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-44(63)61-41(42(62)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)39-80-86(76,77)85-59-55(74)51(70)50(69)54(73)58(59)83-60-56(75)46(65)45(64)43(82-60)40-81-87(78,79)84-57-52(71)48(67)47(66)49(68)53(57)72/h41-43,45-60,62,64-75H,3-40H2,1-2H3,(H,61,63)(H,76,77)(H,78,79)/t41-,42+,43+,45+,46-,47-,48-,49+,50-,51-,52+,53+,54+,55+,56-,57-,58+,59-,60+/m0/s1

SMILES (Click to copy)

[C@@H](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)(NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCCCC