Structure Database (LMSD)

Common Name
MIPC(d18:0/16:0)
Systematic Name
N-(hexadecanoyl)-sphinganine-1-O-[D-mannopyranosyl-α1-2-myo-inositol-1-phosphate]
Synonyms
LM ID
LMSP03030060
Formula
C46H90NO16P
Exact Mass
Calculate m/z
943.599727
Sum Composition
MIPC 34:0;O2
Abbrev Chains
MIPC 18:0;O2/16:0
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)
XIQGVUQIDXVMFJ-PYITUBJPSA-N
InChi (Click to copy)
InChI=1S/C46H90NO16P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(49)33(47-36(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-60-64(58,59)63-45-42(56)40(54)39(53)41(55)44(45)62-46-43(57)38(52)37(51)35(31-48)61-46/h33-35,37-46,48-49,51-57H,3-32H2,1-2H3,(H,47,50)(H,58,59)/t33-,34+,35+,37+,38-,39-,40-,41+,42+,43-,44+,45-,46+/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)CCCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
70699132
SwissLipids ID
SLM:000508995

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 2
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 948.47
Topological Polar Surface Area 287.46
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 17
logP 9.40
Molar Refractivity 249.38

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Created at
-
Updated at
17th Aug 2021