Structure Database (LMSD)

Common Name
MIPC(t18:0/26:0(2OH))
Systematic Name
N-(2-hydroxy-hexacosanoyl)-4R-hydroxysphinganine-1-O-[mannosyl-α1-2-inositol-1-phosphate]
Synonyms
  • MIPC
  • Man-alpha1-2-Ins-1-P-Cer(t18:0/26:0(2OH))
  • Man-alpha1-2-PI-Cer(t18:0/26:0(2OH))
LM ID
LMSP03030004
Formula
Exact Mass
Calculate m/z
1115.746057
Sum Composition
Abbrev Chains
MIPC 18:0;O3/26:0;O
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Mutant strains of Saccharomyces cerevisiae lacking sphingolipids synthesize novel inositol glycerophospholipids that mimic sphingolipid structures.,
J Biol Chem, 1993
Pubmed ID: 8419362

String Representations

InChiKey (Click to copy)
OLOYCUZQMOZKED-RJTQPOMESA-N
InChi (Click to copy)
InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-51(67)49(65)48(64)50(66)53(54)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)/t41-,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](CO)O1)([H])(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 76
Rings 2
Aromatic Rings 0
Rotatable Bonds 48
Van der Waals Molecular Volume 1139.05
Topological Polar Surface Area 327.92
Hydrogen Bond Donors 13
Hydrogen Bond Acceptors 19
logP 11.82
Molar Refractivity 299.35

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Created at
-
Updated at
17th Aug 2021