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

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(E)-4-hexen-3-one

MNXM22122 is deprecated and here replaced by MNXM1368767
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1368767
reference	chebi:183229
formula	C₆H₁₀O
global charge	0
mol weight	98.145
InChIKey	FEWIGMWODIRUJM-HWKANZROSA-N
InChI	InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
SMILES	C/C=C/C(=O)CC

MNX internals

InChI (mnx)	InChI=1/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
SMILES (mnx)	[CH3:1]/[CH:3]=[CH:5]/[C:6]([CH2:4][CH3:2])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:183229 chebi:183229 FEWIGMWODIRUJM-HWKANZROSA-N	(E)-4-hexen-3-one (4E)-4-hexen-3-one (4E)-hex-4-en-3-one (E)-2-hexen-4-one (E)-2-hexene-4-one (E)-hex-4-en-3-one trans-4-hexen-3-one trans-4-hexene-3-one trans-hex-4-en-3-one
seed.compound:cpd23784 seedM:cpd23784 FEWIGMWODIRUJM-HWKANZROSA-N	(E)-2-hexen-4-one (E)-2-hexene-4-one (E)-4-hexen-3-one (E)-hex-4-en-3-one 4-hexen-3-one, (4E)- trans-4-hexen-3-one trans-4-hexene-3-one
sabiork.compound:31507 sabiorkM:31507 FEWIGMWODIRUJM-HWKANZROSA-N	4-Hexen-3-one
hmdb:HMDB0035239 FEWIGMWODIRUJM-HWKANZROSA-N	4-Hexen-3-one (4E)-4-Hexen-3-one (4E)-hex-4-en-3-one (E)-4-Hexen-3-one (E)-Hex-4-ene-3-one (e)-2-Hexen-4-one (e)-2-Hexene-4-one (e)-CH3CH=chc(=o)C2H5 (e)-Hex-4-en-3-one 2-Hexen-4-one 2-Hexene-4-one 4-Hexen-3-one, predominantly trans 4-Hexene-3-one 4-hexen-3-one Ethyl 1-propenyl ketone FEMA 3352 trans-4-Hexen-3-one trans-4-Hexene-3-one
metacyc.compound:CPD-13222 metacycM:CPD-13222 FEWIGMWODIRUJM-HWKANZROSA-N	trans-4-hexen-3-one (E)-2-hexen-4-one (E)-2-hexene-4-one (E)-4-hexen-3-one (E)-hex-4-en-3-one 4-hexen-3-one, (4E)- trans-4-hexene-3-one
hmdb:HMDB35239 seedM:M_cpd23784	secondary/obsolete/fantasy identifier