Difference between revisions of "CPD-591"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-591 CPD-591] == * smiles: ** C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)...") |
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* smiles: | * smiles: | ||
** C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O) | ** C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 285.232 | ** 285.232 | ||
| + | * inchi key: | ||
| + | ** InChIKey=VEVZSMAEJFVWIL-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** cyanidin | ||
* Synonym(s): | * Synonym(s): | ||
** 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium | ** 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium | ||
| Line 18: | Line 18: | ||
* [[RXN-9725]] | * [[RXN-9725]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71682 71682] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202542 25202542] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202542 25202542] | ||
* HMDB : HMDB02708 | * HMDB : HMDB02708 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05905 C05905] | ** [http://www.genome.jp/dbget-bin/www_bget?C05905 C05905] | ||
{{#set: smiles=C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)}} | {{#set: smiles=C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=285.232 }} | {{#set: molecular weight=285.232 }} | ||
| + | {{#set: inchi key=InChIKey=VEVZSMAEJFVWIL-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=cyanidin}} | ||
{{#set: common name=2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium|3,3',4',5,7-pentahydroxyflavylium|cyanidol}} | {{#set: common name=2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium|3,3',4',5,7-pentahydroxyflavylium|cyanidol}} | ||
{{#set: consumed by=RXN-9725}} | {{#set: consumed by=RXN-9725}} | ||
| − | |||
Latest revision as of 11:36, 10 January 2019
Contents
Metabolite CPD-591
- smiles:
- C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)
- molecular weight:
- 285.232
- inchi key:
- InChIKey=VEVZSMAEJFVWIL-UHFFFAOYSA-M
- common name:
- cyanidin
- Synonym(s):
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium
- 3,3',4',5,7-pentahydroxyflavylium
- cyanidol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)" cannot be used as a page name in this wiki.
