Difference between revisions of "CPD-8815"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8815 CPD-8815] == * smiles: ** CC1(=CC(=C(C=C1)C([O-])=O)O) * common name: ** 2,4-dihydroxy...") |
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* smiles: | * smiles: | ||
** CC1(=CC(=C(C=C1)C([O-])=O)O) | ** CC1(=CC(=C(C=C1)C([O-])=O)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 151.141 | ** 151.141 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NJESAXZANHETJV-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 2,4-dihydroxybenzoate | ||
* Synonym(s): | * Synonym(s): | ||
** 2-hydroxy-4-methylbenzoate | ** 2-hydroxy-4-methylbenzoate | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.3849838.html 3849838] | ** [http://www.chemspider.com/Chemical-Structure.3849838.html 3849838] | ||
** [http://www.chemspider.com/Chemical-Structure.159254.html 159254] | ** [http://www.chemspider.com/Chemical-Structure.159254.html 159254] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675829 54675829] | ||
| + | * UM-BBD-CPD : c0705 | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20450 20450] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20450 20450] | ||
| + | * CAS : 50-85-1 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C14103 C14103] | ||
* METABOLIGHTS : MTBLC20450 | * METABOLIGHTS : MTBLC20450 | ||
{{#set: smiles=CC1(=CC(=C(C=C1)C([O-])=O)O)}} | {{#set: smiles=CC1(=CC(=C(C=C1)C([O-])=O)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=151.141 }} | {{#set: molecular weight=151.141 }} | ||
| + | {{#set: inchi key=InChIKey=NJESAXZANHETJV-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=2,4-dihydroxybenzoate}} | ||
{{#set: common name=2-hydroxy-4-methylbenzoate|4-methylsalicylate|β-resorcylic acid}} | {{#set: common name=2-hydroxy-4-methylbenzoate|4-methylsalicylate|β-resorcylic acid}} | ||
{{#set: consumed by=RXN-10078}} | {{#set: consumed by=RXN-10078}} | ||
Latest revision as of 14:13, 10 January 2019
Contents
Metabolite CPD-8815
- smiles:
- CC1(=CC(=C(C=C1)C([O-])=O)O)
- molecular weight:
- 151.141
- inchi key:
- InChIKey=NJESAXZANHETJV-UHFFFAOYSA-M
- common name:
- 2,4-dihydroxybenzoate
- Synonym(s):
- 2-hydroxy-4-methylbenzoate
- 4-methylsalicylate
- β-resorcylic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- PUBCHEM:
- UM-BBD-CPD : c0705
- CHEBI:
- CAS : 50-85-1
- LIGAND-CPD:
- METABOLIGHTS : MTBLC20450
"CC1(=CC(=C(C=C1)C([O-])=O)O)" cannot be used as a page name in this wiki.
