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

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2-hydroxy-3-oxoadipate

	Properties	Image
MNX_ID	MNXM3811
reference	chebi:57712
formula	C₆H₆O₆
global charge	-2
mol weight	174.108
InChIKey	DVIFFQAOYQDXGL-UHFFFAOYSA-L
InChI	InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)/p-2
SMILES	O=C([O-])CCC(=O)C(O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)/t5?
SMILES (mnx)	[CH2:1]([CH2:2][C:4](=[O:8])[OH:9])[C:3]([CH:5]([C:6](=[O:11])[OH:12])[OH:10])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57712 chebi:57712 DVIFFQAOYQDXGL-UHFFFAOYSA-L	2-hydroxy-3-oxoadipate 2-hydroxy-3-oxoadipate dianion 2-hydroxy-3-oxoadipate(2-) 2-hydroxy-3-oxohexanedioate
vmhM:2h3oapt vmhmetabolite:2h3oapt DVIFFQAOYQDXGL-UHFFFAOYSA-N	2-Hydroxy-3-oxoadipate
kegg.compound:C03217 keggC:C03217 DVIFFQAOYQDXGL-UHFFFAOYSA-N	2-Hydroxy-3-oxoadipate 2-Hydroxy-3-oxoadipic acid
seed.compound:cpd02056 seedM:cpd02056 DVIFFQAOYQDXGL-UHFFFAOYSA-L	2-Hydroxy-3-oxoadipate 2-hydroxy-3-oxoadipate 5-hydroxylevulinate
metacyc.compound:CPD-621 metacycM:CPD-621 DVIFFQAOYQDXGL-UHFFFAOYSA-L	2-hydroxy-3-oxoadipate 5-hydroxylevulinate
CHEBI:16278 chebi:16278 DVIFFQAOYQDXGL-UHFFFAOYSA-N	2-hydroxy-3-oxoadipic acid 2-Hydroxy-3-oxoadipate 2-hydroxy-3-oxohexanedioic acid
lipidmaps:LMFA01050479 lipidmapsM:LMFA01050479 DVIFFQAOYQDXGL-UHFFFAOYSA-N	2-hydroxy-3-oxoadipic acid 2-hydroxy-3-oxohexanedioic acid FA 6:2 O4
envipath:...7f457470b232 envipathM:...7f457470b232 DVIFFQAOYQDXGL-UHFFFAOYSA-L	compound 0075196
chebi:1122 chebi:11582 chebi:19604 keggC:M_C03217 seedM:M_cpd02056 vmhM:M_2h3oapt	secondary/obsolete/fantasy identifier