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

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geranate

	Properties	Image
MNX_ID	MNXM1370332
reference	chebi:67260
formula	C₁₀H₁₅O₂
global charge	-1
mol weight	167.228
InChIKey	ZHYZQXUYZJNEHD-VQHVLOKHSA-M
InChI	InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/p-1/b9-7+
SMILES	CC(C)=CCC/C(C)=C/C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
SMILES (mnx)	[CH3:1][C:8]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:9]([CH3:3])=[CH:7]/[C:10](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67260 chebi:67260 ZHYZQXUYZJNEHD-VQHVLOKHSA-M	geranate (2E)-3,7-dimethylocta-2,6-dienoate (E)-3,7-dimethylocta-2,6-dienoate
sabiork.compound:24726 sabiorkM:24726 ZHYZQXUYZJNEHD-VQHVLOKHSA-N	(2E)-3,7-Dimethylocta-2,6-dienoic acid
sabiork.compound:24703 sabiorkM:24703 ZHYZQXUYZJNEHD-VQHVLOKHSA-N	3,7-Dimethylocta-2,6-dienoic acid
lipidmaps:LMFA01030784 lipidmapsM:LMFA01030784 ZHYZQXUYZJNEHD-VQHVLOKHSA-N	Geranic acid (2E)-3,7-di-methyl-octa-2,6-di-enoic acid 3,7-Dimethyl-2E,6-octadienoic acid FA 10:2
seed.compound:cpd15165 seedM:cpd15165 ZHYZQXUYZJNEHD-VQHVLOKHSA-M	Geranic acid (2E)-3,7-dimethyl-2,6-octadienoate (2E)-3,7-dimethyl-2,6-octadienoic acid 3,7-Dimethylocta-2,6-dienoate 3,7-dimethyl-2,6-octadienoic acid Geranate geranate geranic acid neric acid nerolate nerolic acid
kegg.compound:C16461 keggC:C16461 ZHYZQXUYZJNEHD-VQHVLOKHSA-N	Geranic acid 3,7-Dimethylocta-2,6-dienoate 3,7-Dimethylocta-2,6-dienoic acid Geranate
vmhM:grnt vmhmetabolite:grnt ZHYZQXUYZJNEHD-VQHVLOKHSA-N	Geranic acid 3,7-dimethylocta-2,6-dienoic acid
envipath:...6d8df6eaead4 envipathM:...6d8df6eaead4 ZHYZQXUYZJNEHD-VQHVLOKHSA-M	Geranylate
metacyc.compound:CPD-7618 metacycM:CPD-7618 ZHYZQXUYZJNEHD-VQHVLOKHSA-M	geranate (2E)-3,7-dimethyl-2,6-octadienoate (2E)-3,7-dimethyl-2,6-octadienoic acid geranic acid
CHEBI:67264 chebi:67264 ZHYZQXUYZJNEHD-VQHVLOKHSA-N	geranic acid (2E)-3,7-dimethylocta-2,6-dienoic acid (E)-3,7-dimethylocta-2,6-dienoic acid 3,7-Dimethyl-2E,6-octadienoic acid 3,7-Dimethylocta-2,6-dienoate Geranilyc acid Geranoic acid trans-3,7-dimethyl-2,6-octadien-1-oic acid trans-geranic acid trans-geranoic acid
keggC:M_C16461 seedM:M_cpd15165 vmhM:M_grnt	secondary/obsolete/fantasy identifier