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

Feedback

(2E)-geranial

	Properties	Image
MNX_ID	MNXM1368412
reference	chebi:16980
formula	C₁₀H₁₆O
global charge	0
mol weight	152.237
InChIKey	WTEVQBCEXWBHNA-JXMROGBWSA-N
InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
SMILES	CC(C)=CCC/C(C)=C/C=O

MNX internals

InChI (mnx)	InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
SMILES (mnx)	[CH3:1][C:9]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:10]([CH3:3])=[CH:7]/[CH:8]=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	87
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16980 chebi:16980 WTEVQBCEXWBHNA-JXMROGBWSA-N	(2E)-geranial (2E)-3,7-dimethylocta-2,6-dienal (E)-Citral (E)-Geranial Geranial alpha-Citral citral A geranial lemonal neral trans-Citral
envipath:...db4b8bd3f72d envipathM:...db4b8bd3f72d WTEVQBCEXWBHNA-JXMROGBWSA-N	Geranial
hmdb:HMDB0035078 WTEVQBCEXWBHNA-JXMROGBWSA-N	Geranial (2E)-3,7-Dimethyl-2,6-octadien-1-al (2E)-3,7-Dimethyl-2,6-octadienal (2E)-3,7-dimethylocta-2,6-dienal (2E)-Geranial (E)-3,7-Dimethyl-2,6-octadienal (E)-Neral (Z)-Citral (e)-3,7-Dimethyl-2,6-octadienal (e)-3,7-Dimethylocta-2,6-dienal (e)-Citral (e)-Geranial 3,7-Dimethyl-(2E)-2,6-octadienal 3,7-Dimethyl-(e)-2,6-octadienal 3,7-Dimethyl-2,6-octadien-1-al 3,7-Dimethyl-2,6-octadienal 3,7-Dimethyl-trans-2,6-octadienal Citral Citral a Citral-a Genanial Geranal Geranaldehyde Lemonal a-Citral alpha -Citral alpha-Citral alpha-citral beta-Geranial beta-Neral trans-3,7-Dimethyl-2,6-octadien-1-al trans-3,7-Dimethyl-2,6-octadienal trans-Citral trans-Geranial
lipidmaps:LMPR0102010003 lipidmapsM:LMPR0102010003 WTEVQBCEXWBHNA-JXMROGBWSA-N	Geranial Geranial
seed.compound:cpd01061 seedM:cpd01061 WTEVQBCEXWBHNA-JXMROGBWSA-N	Geranial citral geranal geranial geranialdehyde trans-Citral trans-citral
sabiork.compound:5622 sabiorkM:5622 kegg.compound:C01499 keggC:C01499 WTEVQBCEXWBHNA-JXMROGBWSA-N	Geranial trans-Citral
SLM:000597965 slm:000597965 WTEVQBCEXWBHNA-JXMROGBWSA-N	geranial
metacyc.compound:GERANIAL metacycM:GERANIAL WTEVQBCEXWBHNA-JXMROGBWSA-N	geranial citral geranal geranialdehyde trans-citral
vmhM:tctrl vmhmetabolite:tctrl WTEVQBCEXWBHNA-JXMROGBWSA-N	trans-Citral (2E)-3,7-dimethylocta-2,6-dienal
hmdb:HMDB35078 chebi:14296 chebi:24218 chebi:5327 keggC:M_C01499 seedM:M_cpd01061 vmhM:M_tctrl	secondary/obsolete/fantasy identifier