Difference between revisions of "BENZOATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] == * smiles: ** C(C1(C=CC=CC=1))([O-])=O * common name: ** benzoate * inchi...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(C1(C=CC=CC=1))([O-])=O | ** C(C1(C=CC=CC=1))([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 121.115 | ** 121.115 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** benzoate | ||
* Synonym(s): | * Synonym(s): | ||
** benzoic acid | ** benzoic acid | ||
| Line 20: | Line 20: | ||
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]] | * [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]] | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC16150 | ||
* CAS : 65-85-0 | * CAS : 65-85-0 | ||
| − | |||
| − | |||
* HMDB : HMDB01870 | * HMDB : HMDB01870 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.237.html 237] | ** [http://www.chemspider.com/Chemical-Structure.237.html 237] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16150 16150] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16150 16150] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00180 C00180] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=242 242] | ||
{{#set: smiles=C(C1(C=CC=CC=1))([O-])=O}} | {{#set: smiles=C(C1(C=CC=CC=1))([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=121.115 }} | {{#set: molecular weight=121.115 }} | ||
| + | {{#set: inchi key=InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=benzoate}} | ||
{{#set: common name=benzoic acid|benzenecarboxylic acid|phenylformic acid}} | {{#set: common name=benzoic acid|benzenecarboxylic acid|phenylformic acid}} | ||
{{#set: produced by=RXN-9336}} | {{#set: produced by=RXN-9336}} | ||
{{#set: reversible reaction associated=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}} | {{#set: reversible reaction associated=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}} | ||
Latest revision as of 15:26, 9 January 2019
Contents
Metabolite BENZOATE
- smiles:
- C(C1(C=CC=CC=1))([O-])=O
- molecular weight:
- 121.115
- inchi key:
- InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
- common name:
- benzoate
- Synonym(s):
- benzoic acid
- benzenecarboxylic acid
- phenylformic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC16150
- CAS : 65-85-0
- HMDB : HMDB01870
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"C(C1(C=CC=CC=1))([O-])=O" cannot be used as a page name in this wiki.
