Structure database (LMSD)

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LM IDLMSP03030004
Common NameMIPC(t18:0/26:0(2OH))
Systematic NameN-(2-hydroxy-hexacosanoyl)-4R-hydroxysphinganine-1-O-[mannosyl-α1-2-inositol-1-
phosphate]
SynonymsMIPC; Man-α1-2-Ins-1-P-Cer(t18:0/26:0(2OH)); Man-α1-2-PI-Cer(t18:0/26:0(2OH))
Exact Mass
1115.7461 (neutral)    Calculate m/z:
FormulaC56H110NO18P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoinositols [SP0303]
AbbrevMIPC 44:0;O4
Abbrev ChainsMIPC 18:0;O3/26:0;O
PubChem CID52931239
SWISSLIPIDS IDSLM:000509034
InChIKeyOLOYCUZQMOZKED-RJTQPOMESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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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[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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms76Rings2Aromatic Rings0Rotatable Bonds48
 van der Waals
Molecular Volume
1139.05Topological Polar
Surface Area
327.92Hydrogen
Bond Donors
13Hydrogen
Bond Acceptors
19
 logP11.82Molar
Refractivity
299.35