Structure database (LMSD)

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LM IDLMSP03030028
Common NamePI-Cer(d20:0/24:0)
Systematic NameN-(tetracosanoyl)-eicosasphinganine-1-phospho-(1'-myo-inositol)
Synonyms-
Exact Mass
921.7034 (neutral)    Calculate m/z:
FormulaC50H100NO11P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoinositols [SP0303]
AbbrevIPC 44:0;O2
Abbrev ChainsIPC 20:0;O2/24:0
PubChem CID70699100
CHEBI ID62695
SWISSLIPIDS IDSLM:000508957
InChIKeyWUNMAQLRUBXKIL-PCIXLOPBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C50H100NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-44(53)51-42(41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58)43(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1
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SMILES
[C@](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms63Rings1Aromatic Rings0Rotatable Bonds45
 van der Waals
Molecular Volume
986.08Topological Polar
Surface Area
206.24Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
12
 logP13.76Molar
Refractivity
259.86