Structure Database (LMSD)

Common Name
MIPC(t20:0/24:0(2OH))
Systematic Name
N-(2-hydroxytetracosanoyl)-4R-hydroxyeicosasphinganine-1-O-[D-mannopyranosyl-α1-2-myo-inositol-1-phosphate]
Synonyms
LM ID
LMSP03030094
Formula
C56H110NO18P
Exact Mass
Calculate m/z
1115.746057
Sum Composition
MIPC 44:0;O4
Abbrev Chains
MIPC 20:0;O3/24:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]

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)
XIPZYOHLBXRSLX-RJTQPOMESA-N
InChi (Click to copy)
InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)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)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
70699165
SwissLipids ID
SLM:000509075

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