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

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citral

	Properties	Image
MNX_ID	MNXM1368413
reference	chebi:23316
formula	C₁₀H₁₆O
global charge	0
mol weight	152.237
InChIKey	WTEVQBCEXWBHNA-UHFFFAOYSA-N
InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
SMILES	CC(C)=CCCC(C)=CC=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)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:23316 chebi:23316 WTEVQBCEXWBHNA-UHFFFAOYSA-N	citral 3,7-dimethyl-2,6-octadienal 3,7-dimethylocta-2,6-dienal cis,trans-Citral
hmdb:HMDB0250303 WTEVQBCEXWBHNA-UHFFFAOYSA-N	3,7-Dimethyl-2,6-octadienal (Z)-Citral (e)-Citral 3,7-dimethyl-2,6-octadienal 3,7-dimethylocta-2,6-dienal Citral a Citral b Geranial Neral cis,trans-Citral
sabiork.compound:24779 sabiorkM:24779 WTEVQBCEXWBHNA-UHFFFAOYSA-N	Citral