Structure database (LMSD)

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LM IDLMFA01030055
Common Name7Z-palmitoleic acid
Systematic Name7Z-hexadecenoic acid
SynonymsC16:1n-9
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 16:1
PubChem CID5318393
HMDB IDHMDB0002186
CHEBI ID35465
CAYMAN ID10007290
InChIKeyPJHOFUXBXJNUAC-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-
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SMILES
C(=C/CCCCCCCC)/CCCCCC(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Commentshttps://www.caymanchem.com/product/10007290
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
77.85