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

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7-oxoheptanoic acid

	Properties	Image
MNX_ID	MNXM4423
reference	chebi:80588
formula	C₇H₁₂O₃
global charge	0
mol weight	144.17
InChIKey	OOFMTFUTWFAVGC-UHFFFAOYSA-N
InChI	InChI=1S/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)
SMILES	O=CCCCCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][CH:6]=[O:8])[CH2:3][CH2:5][C:7](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80588 chebi:80588 OOFMTFUTWFAVGC-UHFFFAOYSA-N	7-oxoheptanoic acid 7-Ketoheptanoic acid
envipath:...82a552394eb2 envipathM:...82a552394eb2 OOFMTFUTWFAVGC-UHFFFAOYSA-M	7-Oxoheptanoate
kegg.compound:C16590 keggC:C16590 OOFMTFUTWFAVGC-UHFFFAOYSA-N	7-Oxoheptanoic acid 7-Ketoheptanoic acid
metacyc.compound:CPD-338 metacycM:CPD-338 OOFMTFUTWFAVGC-UHFFFAOYSA-M	7-oxoheptanoate 7-oxoheptanoic acid
bigg.metabolite:7ohp biggM:7ohp	7-oxoheptanoic acid
seed.compound:cpd15829 seedM:cpd15829 OOFMTFUTWFAVGC-UHFFFAOYSA-M	7-oxoheptanoic acid 7-Ketoheptanoic acid 7-Oxoheptanoic acid 7-oxoheptanoate 7ohp
biggM:M_7ohp keggC:M_C16590 seedM:M_cpd15829	secondary/obsolete/fantasy identifier