Difference between revisions of "CIT"
From metabolic_network
(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-] * common name: ** citrate * inch...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] | ** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 189.101 | ** 189.101 | ||
| + | * inchi key: | ||
| + | ** InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K | ||
| + | * common name: | ||
| + | ** citrate | ||
* Synonym(s): | * Synonym(s): | ||
** citr | ** citr | ||
| Line 16: | Line 16: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
* [[biomass_rxn]] | * [[biomass_rxn]] | ||
| + | * [[ATP-CITRATE-PRO-S--LYASE-RXN]] | ||
* [[ATPCL]] | * [[ATPCL]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| Line 24: | Line 24: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[RXN-14047]] | * [[RXN-14047]] | ||
| + | * [[ACONITATEDEHYDR-RXN]] | ||
* [[OAACITtm]] | * [[OAACITtm]] | ||
* [[AKGCITtm]] | * [[AKGCITtm]] | ||
| − | |||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.29081.html 29081] | ** [http://www.chemspider.com/Chemical-Structure.29081.html 29081] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31348 31348] | ||
* METABOLIGHTS : MTBLC16947 | * METABOLIGHTS : MTBLC16947 | ||
| + | * GO-TERMS : (REFMET "Citric acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 77-92-9 | ||
| + | * KNAPSACK : C00007619 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00158 C00158] | ||
| + | * HMDB : HMDB00094 | ||
| + | * BIGG : cit | ||
{{#set: smiles=C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]}} | {{#set: smiles=C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=189.101 }} | {{#set: molecular weight=189.101 }} | ||
| + | {{#set: inchi key=InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K}} | ||
| + | {{#set: common name=citrate}} | ||
{{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}} | {{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}} | ||
| − | {{#set: consumed by=ATP-CITRATE-PRO-S--LYASE-RXN | + | {{#set: consumed by=biomass_rxn|ATP-CITRATE-PRO-S--LYASE-RXN|ATPCL}} |
{{#set: produced by=CSm|CITSYN-RXN}} | {{#set: produced by=CSm|CITSYN-RXN}} | ||
| − | {{#set: reversible reaction associated=RXN-14047 | + | {{#set: reversible reaction associated=RXN-14047|ACONITATEDEHYDR-RXN|OAACITtm|AKGCITtm}} |
Latest revision as of 13:07, 10 January 2019
Contents
Metabolite CIT
- smiles:
- C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
- molecular weight:
- 189.101
- inchi key:
- InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
- common name:
- citrate
- 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
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- METABOLIGHTS : MTBLC16947
- GO-TERMS : (REFMET "Citric acid" NIL midford 3701443689 NIL NIL)
- CAS : 77-92-9
- KNAPSACK : C00007619
- LIGAND-CPD:
- HMDB : HMDB00094
- BIGG : cit
"C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-" cannot be used as a page name in this wiki.
