Difference between revisions of "HOMO-CIT"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] == * smiles: ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O * inchi key: ** InChI...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O | ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O | ||
| + | * molecular weight: | ||
| + | ** 203.128 | ||
* inchi key: | * inchi key: | ||
** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K | ** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K | ||
* common name: | * common name: | ||
** (2R)-homocitrate | ** (2R)-homocitrate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 2-hydroxybutane-1,2,4-tricarboxylate | ** 2-hydroxybutane-1,2,4-tricarboxylate | ||
| Line 24: | Line 24: | ||
== External links == | == External links == | ||
* CAS : 3562-74-1 | * CAS : 3562-74-1 | ||
| − | |||
| − | |||
* HMDB : HMDB03518 | * HMDB : HMDB03518 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.20171681.html 20171681] | ** [http://www.chemspider.com/Chemical-Structure.20171681.html 20171681] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01251 C01251] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849228 20849228] | ||
{{#set: smiles=C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}} | {{#set: smiles=C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}} | ||
| + | {{#set: molecular weight=203.128 }} | ||
{{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}} | {{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}} | ||
{{#set: common name=(2R)-homocitrate}} | {{#set: common name=(2R)-homocitrate}} | ||
| − | |||
{{#set: common name=2-hydroxybutane-1,2,4-tricarboxylate|homocitric acid|3-hydroxy-3-carboxyadipic acid|(2R)-2-hydroxybutane-1,2,4-tricarboxylate|(R)-2-hydroxybutane-1,2,4-tricarboxylate|homocitrate|(R)-homocitrate}} | {{#set: common name=2-hydroxybutane-1,2,4-tricarboxylate|homocitric acid|3-hydroxy-3-carboxyadipic acid|(2R)-2-hydroxybutane-1,2,4-tricarboxylate|(R)-2-hydroxybutane-1,2,4-tricarboxylate|homocitrate|(R)-homocitrate}} | ||
{{#set: reversible reaction associated=RXN-13722}} | {{#set: reversible reaction associated=RXN-13722}} | ||
Latest revision as of 18:19, 9 January 2019
Contents
Metabolite HOMO-CIT
- smiles:
- C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
- molecular weight:
- 203.128
- inchi key:
- InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
- common name:
- (2R)-homocitrate
- Synonym(s):
- 2-hydroxybutane-1,2,4-tricarboxylate
- homocitric acid
- 3-hydroxy-3-carboxyadipic acid
- (2R)-2-hydroxybutane-1,2,4-tricarboxylate
- (R)-2-hydroxybutane-1,2,4-tricarboxylate
- homocitrate
- (R)-homocitrate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 3562-74-1
- HMDB : HMDB03518
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O" cannot be used as a page name in this wiki.
