Structure database (LMSD)

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LM IDLMFA01030910
Common Name22:1(7Z)
Systematic Name7Z-docosenoic acid
SynonymsC22:1n-15
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 22:1
PubChem CID52921862
InChIKeyGPGDDEFYMGSXQS-NXVVXOECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h15-16H,2-14,17-21H2,1H3,(H,23,24)/b16-15-
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SMILES
C(CCCCC/C=C\CCCCCCCCCCCCCC)(=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 Atoms24Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
401.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.67Molar
Refractivity
105.56