Structure database (LMSD)

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LM IDLMFA01030709
Common Name10-hydroxy-2Z,8Z-Decadiene-4,6-diynoic acid
Systematic Name10-hydroxy-2Z,8Z-Decadiene-4,6-diynoic acid
Synonyms-
Exact Mass
176.0473 (neutral)    Calculate m/z:
FormulaC10H8O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesHydroxy fatty acids[FA0105]
AbbrevFA 10:6;O
LIPIDAT ID4524
PubChem CID20843267
CHEBI ID179286
InChIKeyAJSNUBLNFVLJEB-SFECMWDFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5-,8-6-
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SMILES
C(/C=C\C#CC#C/C=C\CO)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
194.73Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.24Molar
Refractivity
50.50