MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

3-heptenal

	Properties	Image
MNX_ID	MNXM114748
reference	chebi:195660
formula	C₇H₁₂O
global charge	0
mol weight	112.172
InChIKey	ORAQCSKNITWHDW-SNAWJCMRSA-N
InChI	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
SMILES	CCC/C=C/CC=O

MNX internals

InChI (mnx)	InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
SMILES (mnx)	[CH3:1][CH2:2][CH2:3]/[CH:4]=[CH:5]/[CH2:6][CH:7]=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195660 chebi:195660 ORAQCSKNITWHDW-SNAWJCMRSA-N	3-heptenal (E)-hept-3-enal
lipidmaps:LMFA06000020 lipidmapsM:LMFA06000020 ORAQCSKNITWHDW-SNAWJCMRSA-N	3-heptenal 3-heptenal FAL 7:1