Difference between revisions of "CPD-157"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-157 CPD-157] == * smiles: ** C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O * common name: ** (2Z,4E)...") |
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* smiles: | * smiles: | ||
** C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O | ** C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 212.159 | ** 212.159 | ||
| + | * inchi key: | ||
| + | ** InChIKey=RFENOVFRMPRRJI-YDCWOTKKSA-L | ||
| + | * common name: | ||
| + | ** (2Z,4E)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate | ||
* Synonym(s): | * Synonym(s): | ||
** (2Z,4E)-2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate | ** (2Z,4E)-2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7822105.html 7822105] | ** [http://www.chemspider.com/Chemical-Structure.7822105.html 7822105] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54689772 54689772] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61449 61449] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61449 61449] | ||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04479 C04479] | ** [http://www.genome.jp/dbget-bin/www_bget?C04479 C04479] | ||
| + | * BIGG : hkndd | ||
{{#set: smiles=C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O}} | {{#set: smiles=C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=212.159 }} | {{#set: molecular weight=212.159 }} | ||
| + | {{#set: inchi key=InChIKey=RFENOVFRMPRRJI-YDCWOTKKSA-L}} | ||
| + | {{#set: common name=(2Z,4E)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate}} | ||
{{#set: common name=(2Z,4E)-2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate|(2Z,4E)-2-hydroxy-6-ketononadienedioic acid|(2Z,4E)-2-hydroxy-6-ketononadienedicarboxylate|(2Z,4E)-2-hydroxy-6-ketonona-2,4-dienedioate|(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioate}} | {{#set: common name=(2Z,4E)-2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate|(2Z,4E)-2-hydroxy-6-ketononadienedioic acid|(2Z,4E)-2-hydroxy-6-ketononadienedicarboxylate|(2Z,4E)-2-hydroxy-6-ketonona-2,4-dienedioate|(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioate}} | ||
{{#set: consumed by=MHPCHYDROL-RXN}} | {{#set: consumed by=MHPCHYDROL-RXN}} | ||
Latest revision as of 10:36, 10 January 2019
Contents
Metabolite CPD-157
- smiles:
- C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O
- molecular weight:
- 212.159
- inchi key:
- InChIKey=RFENOVFRMPRRJI-YDCWOTKKSA-L
- common name:
- (2Z,4E)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate
- Synonym(s):
- (2Z,4E)-2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate
- (2Z,4E)-2-hydroxy-6-ketononadienedioic acid
- (2Z,4E)-2-hydroxy-6-ketononadienedicarboxylate
- (2Z,4E)-2-hydroxy-6-ketonona-2,4-dienedioate
- (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O" cannot be used as a page name in this wiki.
