Structure database (LMSD)

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LM IDLMFA01030907
Common Name17:1(12Z)
Systematic Name12Z-heptadecenoic acid
SynonymsC17:1n-5
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
PubChem CID52921859
InChIKeyVDBZSBZPSBQBTG-WAYWQWQTSA-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/h5-6H,2-4,7-16H2,1H3,(H,18,19)/b6-5-
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SMILES
C(CCCCCCCCCC/C=C\CCCC)(=O)O
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StatusActive
ReferencesIdentification and Total Synthesis of Novel Fatty Acids
from the Siphonarid Limpet Siphonaria denticulata
Nestor M. Carballeir, Heidyleen Cruz, Craig A. Hill, James J. De Voss, and Mary Garson
J. Nat. Prod., 2001, 64(11), pp 1426-1429
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