Structure database (LMSD)

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LM IDLMFA07010027
Common NameTricosanyl palmitoleate
Systematic NameTricosanyl 9Z-hexadecenoate
SynonymsWE(23:0/16:1(9Z)); Tricosyl 9Z-hexadecenoate
Exact Mass
576.5845 (neutral)    Calculate m/z:
FormulaC39H76O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevWE 39:1
PubChem CID52922013
InChIKeyDSLXINYUCCALCR-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C39H76O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-41-39(40)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-38H2,1-2H3/b16-14-
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SMILES
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms41Rings0Aromatic Rings0Rotatable Bonds36
 van der Waals
Molecular Volume
695.56Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP14.28Molar
Refractivity
184.30