Structure database (LMSD)

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LM IDLMSP01080034
Common NameHalaminol A
Systematic Name1-deoxy-tetradecasphing-13-enine
Synonyms-
Exact Mass
227.2249 (neutral)    Calculate m/z:
FormulaC14H29NO
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID10059639
CHEBI ID137092
InChIKeyKLWPMNOQFSPVII-UONOGXRCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3/t13-,14+/m0/s1
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SMILES
C[C@H](N)[C@H](O)CCCCCCCCCC=C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
267.91Topological Polar
Surface Area
46.25Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
1
 logP3.96Molar
Refractivity
72.43