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
Status
Active
Exact Mass
Calculate m/z
1115.746057
Formula
Abbrev
Abbrev Chains
MIPC 18:0;O3/26:0;O


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

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