Structure database (LMSD)

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LM IDLMFA01030689
Common Name10,13-Eicosadiynoic acid
Systematic Name10,13-Eicosadiynoic acid
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 20:4
LIPIDAT ID3462
PubChem CID9543602
InChIKeyDTODYGKYQDXBLJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-6,9,12-19H2,1H3,(H,21,22)
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SMILES
C(CCCCCCCCC#CCC#CCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
358.94Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.56Molar
Refractivity
93.50