Structure database (LMSD)

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LM IDLMFA01140055
Common Name2-Cyclopentene-1S-tridecanoic acid
Systematic Name2-Cyclopentene-1S-tridecanoic acid
Synonyms2-Cyclopentene-1-tridecanoic acid, (1S)-; (S)-13-(cyclopent-2-en-1-yl)
tridecanoic acid
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 18:2
PubChem CID441446
KEGG IDC08282
CHEBI ID61391
PlantFA ID10220
InChIKeyXMVQWNRDPAAMJB-QGZVFWFLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1
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SMILES
[C@H]1(CCCCCCCCCCCCC(O)=O)CCC=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
319.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.72Molar
Refractivity
84.90