Structure database (LMSD)

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LM IDLMFA07010003
Common NameHeptadecyl-palmitate
Systematic Nameheptadecyl hexadecanoate
SynonymsWE(17:0/16:0)
Exact Mass
494.5063 (neutral)    Calculate m/z:
FormulaC33H66O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID52922005
InChIKeyJSCXULKPIQSBSR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35-33(34)31-29-
27-25-23-21-19-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesNetherlands Institute for Sea Research (NIOZ) MBT database
Calculated physicochemical properties (?):
 Heavy Atoms35Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
594.40Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.17Molar
Refractivity
156.69