Difference between revisions of "PWY4FS-6"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17271 CPD-17271] == * smiles: ** CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O * inchi...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] == * smiles: ** C(C1(C=CC=CC=1))([O-])=O * inchi key: ** InChIKey=WPYMKLBDIG...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C(C1(C=CC=CC=1))([O-])=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M |
* common name: | * common name: | ||
| − | ** | + | ** benzoate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 121.115 |
* Synonym(s): | * Synonym(s): | ||
| + | ** benzoic acid | ||
| + | ** benzenecarboxylic acid | ||
| + | ** phenylformic acid | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | * [[ | + | * [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]] |
== External links == | == External links == | ||
| + | * CAS : 65-85-0 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=242 242] |
| − | {{#set: smiles= | + | * HMDB : HMDB01870 |
| − | {{#set: inchi key=InChIKey= | + | * LIGAND-CPD: |
| − | {{#set: common name= | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00180 C00180] |
| − | {{#set: molecular weight= | + | * CHEMSPIDER: |
| − | {{#set: consumed or produced by= | + | ** [http://www.chemspider.com/Chemical-Structure.237.html 237] |
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16150 16150] | ||
| + | * METABOLIGHTS : MTBLC16150 | ||
| + | {{#set: smiles=C(C1(C=CC=CC=1))([O-])=O}} | ||
| + | {{#set: inchi key=InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=benzoate}} | ||
| + | {{#set: molecular weight=121.115 }} | ||
| + | {{#set: common name=benzoic acid|benzenecarboxylic acid|phenylformic acid}} | ||
| + | {{#set: produced by=BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN}} | ||
| + | {{#set: consumed or produced by=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}} | ||
Revision as of 15:54, 10 January 2018
Contents
Metabolite BENZOATE
- smiles:
- C(C1(C=CC=CC=1))([O-])=O
- inchi key:
- InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
- common name:
- benzoate
- molecular weight:
- 121.115
- 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
- CAS : 65-85-0
- PUBCHEM:
- HMDB : HMDB01870
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC16150
"C(C1(C=CC=CC=1))([O-])=O" cannot be used as a page name in this wiki.
