Difference between revisions of "CATECHOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CATECHOL CATECHOL] == * smiles: ** C1(C=CC(=C(C=1)O)O) * inchi key: ** InChIKey=YCIMNLLNPGFGHC-...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=CC(=C(C=1)O)O) | ** C1(C=CC(=C(C=1)O)O) | ||
| + | * molecular weight: | ||
| + | ** 110.112 | ||
* inchi key: | * inchi key: | ||
** InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N | ** InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** catechol | ** catechol | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** pyrocatechol | ** pyrocatechol | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC18135 |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C00090 C00090] | ** [http://www.genome.jp/dbget-bin/www_bget?C00090 C00090] | ||
| + | * HMDB : HMDB00957 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.13837760.html 13837760] | ** [http://www.chemspider.com/Chemical-Structure.13837760.html 13837760] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18135 18135] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18135 18135] | ||
| − | * | + | * CAS : 120-80-9 |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=289 289] | ||
| + | * DRUGBANK : DB02232 | ||
{{#set: smiles=C1(C=CC(=C(C=1)O)O)}} | {{#set: smiles=C1(C=CC(=C(C=1)O)O)}} | ||
| + | {{#set: molecular weight=110.112 }} | ||
{{#set: inchi key=InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N}} | ||
{{#set: common name=catechol}} | {{#set: common name=catechol}} | ||
| − | |||
{{#set: common name=pyrocatechol|2-hydroxyphenol|pyrocatechin|1,2-dihydroxybenzene|1,2-benzenediol}} | {{#set: common name=pyrocatechol|2-hydroxyphenol|pyrocatechin|1,2-dihydroxybenzene|1,2-benzenediol}} | ||
{{#set: produced by=RXN-3661}} | {{#set: produced by=RXN-3661}} | ||
Latest revision as of 16:00, 9 January 2019
Contents
Metabolite CATECHOL
- smiles:
- C1(C=CC(=C(C=1)O)O)
- molecular weight:
- 110.112
- inchi key:
- InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N
- common name:
- catechol
- Synonym(s):
- pyrocatechol
- 2-hydroxyphenol
- pyrocatechin
- 1,2-dihydroxybenzene
- 1,2-benzenediol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC18135
- LIGAND-CPD:
- HMDB : HMDB00957
- CHEMSPIDER:
- CHEBI:
- CAS : 120-80-9
- PUBCHEM:
- DRUGBANK : DB02232
