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

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D-threo-isocitrate

	Properties	Image
MNX_ID	MNXM162
reference	chebi:15562
formula	C₆H₅O₇
global charge	-3
mol weight	189.099
InChIKey	ODBLHEXUDAPZAU-ZAFYKAAXSA-K
InChI	InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t2-,4+/m0/s1
SMILES	O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:2]([C@H:4]([C:6](=[O:12])[OH:13])[OH: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)	14
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-29938 reactomeM:R-ALL-29938 reactome:R-ALL-389545 reactomeM:R-ALL-389545 reactome:R-ALL-389548 reactomeM:R-ALL-389548 CHEBI:15562 chebi:15562 ODBLHEXUDAPZAU-ZAFYKAAXSA-K	D-threo-isocitrate (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylate D-threo-isocitrate(3-) threo-Ds-isocitrate
kegg.compound:C00451 keggC:C00451 ODBLHEXUDAPZAU-ZAFYKAAXSA-N	(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate D-threo-Isocitric acid
sabiork.compound:31102 sabiorkM:31102 ODBLHEXUDAPZAU-ZAFYKAAXSA-K	D-threo-Isocitrate (2R,3S)-Isocitrate
hmdb:HMDB0001874 ODBLHEXUDAPZAU-ZAFYKAAXSA-N	D-threo-Isocitric acid (+)-Threo-isocitrate (+)-Threo-isocitric acid (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylic acid (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid (2R,3S)-Isocitrate 3-Carboxy-2,3-dideoxy-L-threo-pentaric acid D-(+)-threo-Isocitric acid(2R,3S)-isocitric acid D-Threo-isocitrate DS-threo-Isocitrate DS-threo-Isocitric acid ICI ICT ISOCITRIC ACID ISOCITRate Isocitric acid, (11)C-labeled Isocitric acid, calcium salt Isocitric acid, disodium salt Isocitric acid, potassium salt Isocitric acid, sodium salt Isocitric acid, trisodium salt threo-D-(+)-Isocitrate threo-D-(+)-Isocitric acid threo-DS(+)-Isocitrate threo-DS(+)-Isocitric acid threo-DS(+)-isocitrate threo-Isocitrate
seed.compound:cpd00353 seedM:cpd00353 ODBLHEXUDAPZAU-ZAFYKAAXSA-K	D-threo-Isocitric acid (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate D-isocitrate D-threo-isocitrate D-threo-isocitric acid I-CIT isocitrate isocitric acid threo-Ds-isocitrate
vmhM:ticit_D vmhmetabolite:ticit_D ODBLHEXUDAPZAU-ZAFYKAAXSA-N	D-threo-Isocitric acid (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
metacyc.compound:THREO-DS-ISO-CITRATE metacycM:THREO-DS-ISO-CITRATE ODBLHEXUDAPZAU-ZAFYKAAXSA-K	D-threo-isocitrate (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate D-isocitrate D-threo-isocitric acid threo-Ds-isocitrate
CHEBI:151 chebi:151 ODBLHEXUDAPZAU-ZAFYKAAXSA-N	D-threo-isocitric acid (+)-threo-isocitric acid (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid 3-carboxy-2,3-dideoxy-L-threo-pentaric acid D-threo-Isocitric acid ISOCITRIC ACID
hmdb:HMDB01874 chebi:10827 chebi:18510 keggC:M_C00451 seedM:M_cpd00353 vmhM:M_ticit_D	secondary/obsolete/fantasy identifier