Difference between revisions of "CIT"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2030 CPD0-2030] == * smiles: ** C(O)C(O)COP([O-])(OCC([N+])C(=O)[O-])=O * inchi key: ** In...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] == * smiles: ** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] * inchi key: ** InChIKey=KRKNYBC...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] == |
* smiles: | * smiles: | ||
| − | ** C(O) | + | ** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K |
* common name: | * common name: | ||
| − | ** | + | ** citrate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 189.101 |
* Synonym(s): | * Synonym(s): | ||
| + | ** citr | ||
| + | ** cit | ||
| + | ** citric acid | ||
| + | ** 2-hydroxy-1,2,3-propanetricarboxylic acid | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[ATP-CITRATE-PRO-S--LYASE-RXN]] |
| + | * [[biomass_rxn]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[CITSYN-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[RXN-14047]] | ||
| + | * [[ACONITATEDEHYDR-RXN]] | ||
== External links == | == External links == | ||
| + | * CAS : 77-92-9 | ||
| + | * BIGG : 34080 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31348 31348] |
| + | * KNAPSACK : C00007619 | ||
| + | * HMDB : HMDB00094 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00158 C00158] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.29081.html 29081] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947] |
| − | * | + | * METABOLIGHTS : MTBLC16947 |
| − | {{#set: smiles=C(O) | + | {{#set: smiles=C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K}} |
| − | {{#set: common name= | + | {{#set: common name=citrate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=189.101 }} |
| − | {{#set: consumed by=RXN- | + | {{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}} |
| + | {{#set: consumed by=ATP-CITRATE-PRO-S--LYASE-RXN|biomass_rxn}} | ||
| + | {{#set: produced by=CITSYN-RXN}} | ||
| + | {{#set: reversible reaction associated=RXN-14047|ACONITATEDEHYDR-RXN}} | ||
Latest revision as of 20:30, 21 March 2018
Contents
Metabolite CIT
- smiles:
- C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
- inchi key:
- InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
- common name:
- citrate
- molecular weight:
- 189.101
- Synonym(s):
- citr
- cit
- citric acid
- 2-hydroxy-1,2,3-propanetricarboxylic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 77-92-9
- BIGG : 34080
- PUBCHEM:
- KNAPSACK : C00007619
- HMDB : HMDB00094
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC16947
"C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-" cannot be used as a page name in this wiki.
