Difference between revisions of "CPD-8653"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8653 CPD-8653] == * smiles: ** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3) | ** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 386.317 | ** 386.317 | ||
| + | * inchi key: | ||
| + | ** InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L | ||
| + | * common name: | ||
| + | ** betanidin | ||
* Synonym(s): | * Synonym(s): | ||
** betanidin radical | ** betanidin radical | ||
| Line 16: | Line 16: | ||
* [[RXN-8635]] | * [[RXN-8635]] | ||
== 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=3079 3079] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245506 25245506] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245506 25245506] | ||
* HMDB : HMDB29407 | * HMDB : HMDB29407 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C08539 C08539] | ** [http://www.genome.jp/dbget-bin/www_bget?C08539 C08539] | ||
| + | * DRUGBANK : DB00217 | ||
{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}} | {{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=386.317 }} | {{#set: molecular weight=386.317 }} | ||
| + | {{#set: inchi key=InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L}} | ||
| + | {{#set: common name=betanidin}} | ||
{{#set: common name=betanidin radical|2,6-Pyridinedicarboxylic acid}} | {{#set: common name=betanidin radical|2,6-Pyridinedicarboxylic acid}} | ||
{{#set: consumed by=RXN-8635}} | {{#set: consumed by=RXN-8635}} | ||
| − | |||
Latest revision as of 14:53, 10 January 2019
Contents
Metabolite CPD-8653
- smiles:
- C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
- molecular weight:
- 386.317
- inchi key:
- InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
- common name:
- betanidin
- Synonym(s):
- betanidin radical
- 2,6-Pyridinedicarboxylic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)" cannot be used as a page name in this wiki.
