Structure database (LMSD)

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LM IDLMFA01031066
Common Name7-hydroxy-10E-Heptadecen-8-ynoic acid
Systematic Name7-hydroxy-10E-Heptadecen-8-ynoic acid
Synonyms10-Heptadecen-8-ynoic acid, 7-hydroxy-, (E)-
Exact Mass
280.2038 (neutral)    Calculate m/z:
FormulaC17H28O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID21159003
PlantFA ID10461
InChIKeyIHRRJGGTQOBZEY-BQYQJAHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h7-8,16,18H,2-6,9,11-12,14-15H2,1H3,(H,19,20)/b8-7+
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SMILES
C(O)(=O)CCCCCC(O)C#C/C=C/CCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
318.47Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.20Molar
Refractivity
82.91