Difference between revisions of "THREO-DS-ISO-CITRATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] == * smiles: ** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-] | ** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 189.101 | ** 189.101 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K | ||
| + | * common name: | ||
| + | ** D-threo-isocitrate | ||
* Synonym(s): | * Synonym(s): | ||
** D-threo-isocitrate | ** D-threo-isocitrate | ||
| Line 23: | Line 23: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
* [[ISOCITDEH-RXN]] | * [[ISOCITDEH-RXN]] | ||
| + | * [[RXN-9951]] | ||
* [[RXN-14047]] | * [[RXN-14047]] | ||
| + | * [[ACONITATEHYDR-RXN]] | ||
* [[ISOCIT-CLEAV-RXN]] | * [[ISOCIT-CLEAV-RXN]] | ||
| − | |||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553] | ** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459771 5459771] | ||
* METABOLIGHTS : MTBLC15562 | * METABOLIGHTS : MTBLC15562 | ||
| + | * GO-TERMS : (REFMET "Isocitric acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 320-77-4 | ||
| + | * CAS : 30810-51-6 | ||
| + | * KNAPSACK : C00001188 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00451 C00451] | ||
| + | * HMDB : HMDB01874 | ||
| + | * BIGG : icit | ||
{{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}} | {{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=189.101 }} | {{#set: molecular weight=189.101 }} | ||
| + | {{#set: inchi key=InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K}} | ||
| + | {{#set: common name=D-threo-isocitrate}} | ||
{{#set: common name=D-threo-isocitrate|(1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-threo-isocitric acid|isocitric acid|isocitrate|threo-Ds-isocitrate|I-CIT|D-isocitrate}} | {{#set: common name=D-threo-isocitrate|(1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-threo-isocitric acid|isocitric acid|isocitrate|threo-Ds-isocitrate|I-CIT|D-isocitrate}} | ||
{{#set: consumed by=biomass_rxn}} | {{#set: consumed by=biomass_rxn}} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=ISOCITDEH-RXN|RXN-9951|RXN-14047|ACONITATEHYDR-RXN|ISOCIT-CLEAV-RXN}} |
Latest revision as of 15:48, 10 January 2019
Contents
Metabolite THREO-DS-ISO-CITRATE
- smiles:
- C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
- molecular weight:
- 189.101
- inchi key:
- InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
- common name:
- D-threo-isocitrate
- Synonym(s):
- D-threo-isocitrate
- (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate
- D-threo-isocitric acid
- isocitric acid
- isocitrate
- threo-Ds-isocitrate
- I-CIT
- D-isocitrate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- METABOLIGHTS : MTBLC15562
- GO-TERMS : (REFMET "Isocitric acid" NIL midford 3701443689 NIL NIL)
- CAS : 320-77-4
- CAS : 30810-51-6
- KNAPSACK : C00001188
- LIGAND-CPD:
- HMDB : HMDB01874
- BIGG : icit
"C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-" cannot be used as a page name in this wiki.
