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

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citronellal

	Properties	Image
MNX_ID	MNXM11126
reference	chebi:47856
formula	C₁₀H₁₈O
global charge	0
mol weight	154.253
InChIKey	NEHNMFOYXAPHSD-UHFFFAOYSA-N
InChI	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
SMILES	CC(C)=CCCC(C)CC=O

MNX internals

InChI (mnx)	InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10?
SMILES (mnx)	[CH3:1][C:9]([CH3:2])=[CH:5][CH2:4][CH2:6][CH:10]([CH3:3])[CH2:7][CH:8]=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:47856 chebi:47856 NEHNMFOYXAPHSD-UHFFFAOYSA-N	citronellal 2,3-dihydrocitral 3,7-dimethyl-6-octen-1-al 3,7-dimethyl-6-octenal 3,7-dimethyloct-6-enal beta-citronellal
envipath:...ec9ff895c7a3 envipathM:...ec9ff895c7a3 seed.compound:cpd17518 seedM:cpd17518 kegg.compound:C17384 keggC:C17384 NEHNMFOYXAPHSD-UHFFFAOYSA-N	Citronellal
seed.compound:cpd26733 seedM:cpd26733 NEHNMFOYXAPHSD-UHFFFAOYSA-N	Citronellals
hmdb:HMDB0035841 NEHNMFOYXAPHSD-UHFFFAOYSA-N	Citronellal 2,3-Dihydrocitral 3,7-Dimethyl-6-octen-1-al 3,7-Dimethyl-6-octenal 3,7-Dimethyloct-6-enal 3,7-dimethyloct-6-enal Citronellal, (+-)-isomer Citronellal, (R)-isomer Citronellal, (S)-isomer FEMA 2307 Rhodinal b-Citronellal beta -Citronellal beta-Citronellal beta-citronellal citronella
sabiork.compound:30055 sabiorkM:30055 NEHNMFOYXAPHSD-UHFFFAOYSA-N	Citronellal 3,7-Dimethyl-6-octen-1-al
metacyc.compound:Citronellals metacycM:Citronellals NEHNMFOYXAPHSD-UHFFFAOYSA-N	citronellal 2,3-dihydrocitral 3,7-dimethyl-6-octen-1-al 3,7-dimethyl-6-octenal beta-citronellal
hmdb:HMDB35841 keggC:M_C17384 seedM:M_cpd17518 seedM:M_cpd26733	secondary/obsolete/fantasy identifier