Structure database (LMSD)

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LM IDLMFA01030480
Common Name3-heptadecenoic acid
Systematic Name3-heptadecenoic acid
Synonyms3-Heptadecenoic acid; C17:1n-14
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 17:1
LIPIDAT ID4181
PubChem CID5312619
InChIKeyHPCIBDOHYQNJCA-CCEZHUSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h14-15H,2-13,16H2,1H3,(H,18,19)/b15-14+
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SMILES
C(C/C=C/CCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
314.96Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.72Molar
Refractivity
82.47