Structure database (LMSD)

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LM IDLMSP01080048
Common NamePramanicin
Systematic Name-
Synonyms-
Exact Mass
369.2151 (neutral)    Calculate m/z:
FormulaC19H31NO6
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID10595278
InChIKeyBOWRHOKHYKPEAR-YRMVZDNFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-
21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14+
,15+,17-,19+/m0/s1
SMILES[C@@]1(O)(C(=O)/C=C/[C@H]2O[C@@H]2CCCCCCCCC)[C@@H](O)[C@H](CO)NC1=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings2Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
368.36Topological Polar
Surface Area
119.39Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.32Molar
Refractivity
98.44