Structure database (LMSD)

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LM IDLMFA07010004
Common Nameoctadecyl 11E-hexadecenoate
Systematic Nameoctadecyl 11E-hexadecenoate
SynonymsWE(18:0/16:1(11E))
Exact Mass
506.5063 (neutral)    Calculate m/z:
FormulaC34H66O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID42607326
InChIKeyRQYBZUUZOUHUDB-ZRDIBKRKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-
30-28-26-24-22-20-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-33H2,1-2H3/b12-10+
SMILESCCCC/C=C/CCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesNetherlands Institute for Sea Research (NIOZ) MBT database
Calculated physicochemical properties (?):
 Heavy Atoms36Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
609.06Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.33Molar
Refractivity
161.21