Structure database (LMSD)

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LM IDLMSP03030003
Common NameM(IP)2C(t18:0/26:0(2OH))
Systematic NameN-(2-hydroxy-hexacosanoyl)-4R-hydroxysphinganine-1-O-[inositol-1-phosphoryl-6-
mannosyl-α1-2-inositol-1-phosphate]
SynonymsM(IP)2C; Ins-1-P-6-Man-α1-2-Ins-1-P-Cer(t18:0/26:0(2OH)); PI-6-Man-α1-2-PI-
Cer(t18:0/26:0(2OH))
Exact Mass
1357.7652 (neutral)    Calculate m/z:
FormulaC62H121NO26P2
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoinositols [SP0303]
AbbrevM(IP)2C 44:0;O4
Abbrev ChainsM(IP)2C 18:0;O3/26:0;O
PubChem CID42608382
SWISSLIPIDS IDSLM:000509118
InChIKeyDBKQSCMOMGQYBE-CLKAGNPJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C62H121NO26P2/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(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-56(77)52(73)51(72)55(76)59(60)87-62-57(78)47(68)46(67)44(86-62)40-85-91(82,83)88-58-53(74)49(70)48(69)50(71)54(58)75/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)/t41-,42+,43?,44+,45-,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56+,57-,58-,59+,60-,62+/m0/s1
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SMILES
[C@](COP(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](COP(O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)(=O)O)O1)(=O)O)([H])(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms91Rings3Aromatic Rings0Rotatable Bonds52
 van der Waals
Molecular Volume
1320.64Topological Polar
Surface Area
464.60Hydrogen
Bond Donors
18Hydrogen
Bond Acceptors
27
 logP11.03Molar
Refractivity
345.88