Structure database (LMSD)

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LM IDLMFA07010029
Common NamePentacosanyl palmitoleate
Systematic NamePentacosanyl 9Z-hexadecenoate
SynonymsWE(25:0/16:1(9Z)); Pentacosyl 9Z-hexadecenoate
Exact Mass
604.6158 (neutral)    Calculate m/z:
FormulaC41H80O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevWE 41:1
PubChem CID52922015
CHEBI ID188076
InChIKeyWOWHRLSWIUFSKZ-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C41H80O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-43-41(42)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-40H2,1-2H3/b16-14-
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SMILES
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms43Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
730.16Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP15.06Molar
Refractivity
193.53