Difference between revisions of "CPD-31"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] == * smiles: ** CC(O)(C(=O)[O-])CC(=O)[O-] * common name: ** (R)-citramalate * i...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(O)(C(=O)[O-])CC(=O)[O-] | ** CC(O)(C(=O)[O-])CC(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 146.099 | ** 146.099 | ||
| + | * inchi key: | ||
| + | ** InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L | ||
| + | * common name: | ||
| + | ** (R)-citramalate | ||
* Synonym(s): | * Synonym(s): | ||
** (R)-2-methylmalic acid | ** (R)-2-methylmalic acid | ||
| Line 25: | Line 25: | ||
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]] | * [[R-2-METHYLMALATE-DEHYDRATASE-RXN]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573870.html 4573870] | ** [http://www.chemspider.com/Chemical-Structure.4573870.html 4573870] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30934 30934] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30934 30934] | ||
| + | * CAS : 6236-10-8 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02612 C02612] | ** [http://www.genome.jp/dbget-bin/www_bget?C02612 C02612] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460281 5460281] | ||
{{#set: smiles=CC(O)(C(=O)[O-])CC(=O)[O-]}} | {{#set: smiles=CC(O)(C(=O)[O-])CC(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=146.099 }} | {{#set: molecular weight=146.099 }} | ||
| + | {{#set: inchi key=InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L}} | ||
| + | {{#set: common name=(R)-citramalate}} | ||
{{#set: common name=(R)-2-methylmalic acid|(3R)-citramalate|(3R)-citramalic acid|(3R)-α-hydroxypyrotartaric acid|D-citramalate|D-citramalic acid|D-α-hydroxypyrotartaric acid|(R)-2-methylmalate|(R)-(-)-citramalic acid}} | {{#set: common name=(R)-2-methylmalic acid|(3R)-citramalate|(3R)-citramalic acid|(3R)-α-hydroxypyrotartaric acid|D-citramalate|D-citramalic acid|D-α-hydroxypyrotartaric acid|(R)-2-methylmalate|(R)-(-)-citramalic acid}} | ||
{{#set: reversible reaction associated=R-2-METHYLMALATE-DEHYDRATASE-RXN}} | {{#set: reversible reaction associated=R-2-METHYLMALATE-DEHYDRATASE-RXN}} | ||
Latest revision as of 15:06, 10 January 2019
Contents
Metabolite CPD-31
- smiles:
- CC(O)(C(=O)[O-])CC(=O)[O-]
- molecular weight:
- 146.099
- inchi key:
- InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L
- common name:
- (R)-citramalate
- Synonym(s):
- (R)-2-methylmalic acid
- (3R)-citramalate
- (3R)-citramalic acid
- (3R)-α-hydroxypyrotartaric acid
- D-citramalate
- D-citramalic acid
- D-α-hydroxypyrotartaric acid
- (R)-2-methylmalate
- (R)-(-)-citramalic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(O)(C(=O)[O-])CC(=O)[O-" cannot be used as a page name in this wiki.
