Structure database (LMSD)

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LM IDLMFA07010006
Common Nameoctadecyl heptadecanoate
Systematic Nameoctadecyl heptadecanoate
SynonymsWE(18:0/17:0)
Exact Mass
522.5376 (neutral)    Calculate m/z:
FormulaC35H70O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID42607328
InChIKeyCEQDKMZQTXZMPE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H70O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-37-35(36)33-
31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
SMILESC(C)CCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesNetherlands Institute for Sea Research (NIOZ) MBT database
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
629.00Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.95Molar
Refractivity
165.92