Structure database (LMSD)

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LM IDLMFA06000051
Common Name4-hydroxynonenal (W)
Systematic Name4-hydroxy-2E-nonenal
Synonyms4-HNE
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 9:1;O
PubChem CID5283344
HMDB IDHMDB0004362
CHEBI ID58968
CAYMAN ID32100
InChIKeyJVJFIQYAHPMBBX-FNORWQNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
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SMILES
C(CCCC(O)/C=C/C([H])=O)C
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
176.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.97Molar
Refractivity
45.86