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

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(S)-oxalosuccinate

	Properties	Image
MNX_ID	MNXM1093495
reference	chebi:153066
formula	C₆H₃O₇
global charge	-3
mol weight	187.083
InChIKey	UFSCUAXLTRFIDC-REOHCLBHSA-K
InChI	InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-/m0/s1
SMILES	O=C([O-])C[C@H](C(=O)[O-])C(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:2]([C:4]([C:6]([OH:12])=[O:13])=[O:9])[C:5](=[O:10])[OH:11])[C:3](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:153066 chebi:153066 UFSCUAXLTRFIDC-REOHCLBHSA-K	(S)-oxalosuccinate (2S)-1-oxopropane-1,2,3-tricarboxylate (S)-oxalatosuccinate(3-)
CHEBI:44712 chebi:44712 UFSCUAXLTRFIDC-REOHCLBHSA-N	(S)-oxalosuccinic acid (2S)-1-oxopropane-1,2,3-tricarboxylic acid 2-OXALOSUCCINIC ACID
bigg.metabolite:HC01434 biggM:HC01434 UFSCUAXLTRFIDC-UHFFFAOYSA-K	Oxalatosuccinate(3-)
bigg.metabolite:osuc biggM:osuc UFSCUAXLTRFIDC-UHFFFAOYSA-K	Oxalosuccinate
vmhM:oxasucc vmhmetabolite:oxasucc UFSCUAXLTRFIDC-UHFFFAOYSA-N	Oxalosuccinate (2S)-1-oxopropane-1,2,3-tricarboxylic acid
sabiork.compound:2782 sabiorkM:2782 kegg.compound:C05379 keggC:C05379 UFSCUAXLTRFIDC-UHFFFAOYSA-N	Oxalosuccinate Oxalosuccinic acid
seed.compound:cpd03187 seedM:cpd03187 UFSCUAXLTRFIDC-UHFFFAOYSA-K	Oxalosuccinate Oxalosuccinic acid oxalo-succ oxalosuccinate oxasucc
hmdb:HMDB0003974 UFSCUAXLTRFIDC-REOHCLBHSA-N	Oxalosuccinic acid (2S)-1-oxopropane-1,2,3-tricarboxylic acid (S)-Oxalosuccinate (S)-oxalosuccinic acid 1-Oxo-1,2,3-propanetricarboxylic acid 2-OXALOSUCCINIC ACID 2-OXALOSUCCINate Oxalosuccinate
vmhM:HC01434 vmhmetabolite:HC01434 UFSCUAXLTRFIDC-REOHCLBHSA-K	oxalatosuccinate(3-) (2S)-1-oxopropane-1,2,3-tricarboxylic acid
CHEBI:58931 chebi:58931 UFSCUAXLTRFIDC-UHFFFAOYSA-K	oxalatosuccinate(3-) 1-oxopropane-1,2,3-tricarboxylate
hmdb:HMDB0304444 UFSCUAXLTRFIDC-UHFFFAOYSA-N	oxalosuccinate 1-Oxopropane-1,2,3-tricarboxylate 1-Oxopropane-1,2,3-tricarboxylic acid 1-oxopropane-1,2,3-tricarboxylic acid Oxalbernsteinsaeure Oxalosuccinate Oxalosuccinic acid
metacyc.compound:OXALO-SUCCINATE metacycM:OXALO-SUCCINATE UFSCUAXLTRFIDC-UHFFFAOYSA-K	oxalosuccinate oxalo-succ
CHEBI:7815 chebi:7815 UFSCUAXLTRFIDC-UHFFFAOYSA-N	oxalosuccinic acid 1-oxopropane-1,2,3-tricarboxylate 1-oxopropane-1,2,3-tricarboxylic acid Oxalbernsteinsaeure Oxalosuccinate Oxalosuccinic acid
hmdb:HMDB03974 biggM:M_HC01434 biggM:M_osuc keggC:M_C05379 seedM:M_cpd03187 vmhM:M_HC01434 vmhM:M_oxasucc	secondary/obsolete/fantasy identifier