Structure database (LMSD)

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LM IDLMFA01030289
Common Name9E-heptadecenoic acid
Systematic Name9E-heptadecenoic acid
SynonymsC17:1n-8
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 ID4188
PubChem CID5312440
KEGG IDC16536
HMDB IDHMDB0031046
CHEBI ID80550
InChIKeyQSBYPNXLFMSGKH-CMDGGOBGSA-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/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+
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SMILES
C(CCCCCCC/C=C/CCCCCCC)(=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