Difference between revisions of "CPD-578"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-578 CPD-578] == * smiles: ** C(N)(NC([O-])=O)=O * common name: ** urea-1-carboxylate * inch...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(N)(NC([O-])=O)=O | ** C(N)(NC([O-])=O)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 103.057 | ** 103.057 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AVWRKZWQTYIKIY-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** urea-1-carboxylate | ||
* Synonym(s): | * Synonym(s): | ||
** allophanate | ** allophanate | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7822223.html 7822223] | ** [http://www.chemspider.com/Chemical-Structure.7822223.html 7822223] | ||
| Line 26: | Line 24: | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01010 C01010] | ** [http://www.genome.jp/dbget-bin/www_bget?C01010 C01010] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543250 9543250] | ||
{{#set: smiles=C(N)(NC([O-])=O)=O}} | {{#set: smiles=C(N)(NC([O-])=O)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=103.057 }} | {{#set: molecular weight=103.057 }} | ||
| + | {{#set: inchi key=InChIKey=AVWRKZWQTYIKIY-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=urea-1-carboxylate}} | ||
{{#set: common name=allophanate|allophanic acid}} | {{#set: common name=allophanate|allophanic acid}} | ||
{{#set: consumed by=ALLOPHANATE-HYDROLASE-RXN}} | {{#set: consumed by=ALLOPHANATE-HYDROLASE-RXN}} | ||
Latest revision as of 14:53, 10 January 2019
Contents
Metabolite CPD-578
- smiles:
- C(N)(NC([O-])=O)=O
- molecular weight:
- 103.057
- inchi key:
- InChIKey=AVWRKZWQTYIKIY-UHFFFAOYSA-M
- common name:
- urea-1-carboxylate
- Synonym(s):
- allophanate
- allophanic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(N)(NC([O-])=O)=O" cannot be used as a page name in this wiki.
