Structure database (LMSD)

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LM IDLMFA01140002
Common NameMalvalic acid (W)
Systematic Name8,9-methylene-8Z-heptadecenoic acid
SynonymsMalvic acid; Halphenic acid; Malvalinic acid; Halphen acid
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID10416
KEGG IDC08321
CHEBI ID6673
PlantFA ID10229
InChIKeyHPSSZFFAYWBIPY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2
,1H3,(H,19,20)
SMILESOC(=O)CCCCCCC1CC=1CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
319.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.86Molar
Refractivity
84.97