Difference between revisions of "CPD-12762"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12762 CPD-12762] == * smiles: ** CC(=CC=O)C=CC=C(C=O)C * common name: ** (2E,4E,6E)-2,6-dim...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=CC=O)C=CC=C(C=O)C | ** CC(=CC=O)C=CC=C(C=O)C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 164.204 | ** 164.204 | ||
| + | * inchi key: | ||
| + | ** InChIKey=PPJGVKZRXCHMCC-LNFQZQFXSA-N | ||
| + | * common name: | ||
| + | ** (2E,4E,6E)-2,6-dimethylocta-2,4,6-trienedial | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.10301886.html 10301886] | ** [http://www.chemspider.com/Chemical-Structure.10301886.html 10301886] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=53155 53155] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=53155 53155] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C19729 C19729] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16129452 16129452] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16129452 16129452] | ||
{{#set: smiles=CC(=CC=O)C=CC=C(C=O)C}} | {{#set: smiles=CC(=CC=O)C=CC=C(C=O)C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=164.204 }} | {{#set: molecular weight=164.204 }} | ||
| + | {{#set: inchi key=InChIKey=PPJGVKZRXCHMCC-LNFQZQFXSA-N}} | ||
| + | {{#set: common name=(2E,4E,6E)-2,6-dimethylocta-2,4,6-trienedial}} | ||
{{#set: produced by=RXN-11783}} | {{#set: produced by=RXN-11783}} | ||
Latest revision as of 14:22, 10 January 2019
Contents
Metabolite CPD-12762
- smiles:
- CC(=CC=O)C=CC=C(C=O)C
- molecular weight:
- 164.204
- inchi key:
- InChIKey=PPJGVKZRXCHMCC-LNFQZQFXSA-N
- common name:
- (2E,4E,6E)-2,6-dimethylocta-2,4,6-trienedial
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
