Difference between revisions of "4-METHYLCATECHOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-METHYLCATECHOL 4-METHYLCATECHOL] == * smiles: ** CC1(C=CC(O)=C(C=1)O) * common name: ** 4-met...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(C=CC(O)=C(C=1)O) | ** CC1(C=CC(O)=C(C=1)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 124.139 | ** 124.139 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ZBCATMYQYDCTIZ-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 4-methylcatechol | ||
* Synonym(s): | * Synonym(s): | ||
== 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 == | ||
| − | |||
* [[RXN-10079]] | * [[RXN-10079]] | ||
| + | * [[RXN-10078]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* NCI: | * NCI: | ||
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=17489 17489] | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=17489 17489] | ||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.9564.html 9564] | ** [http://www.chemspider.com/Chemical-Structure.9564.html 9564] | ||
| + | * DRUGBANK : DB04120 | ||
| + | * REFMET : 4-Methylcatechol | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9958 9958] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17254 17254] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17254 17254] | ||
| + | * CAS : 452-86-8 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C06730 C06730] | ||
| + | * HMDB : HMDB00873 | ||
{{#set: smiles=CC1(C=CC(O)=C(C=1)O)}} | {{#set: smiles=CC1(C=CC(O)=C(C=1)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=124.139 }} | {{#set: molecular weight=124.139 }} | ||
| − | {{#set: produced by=RXN- | + | {{#set: inchi key=InChIKey=ZBCATMYQYDCTIZ-UHFFFAOYSA-N}} |
| + | {{#set: common name=4-methylcatechol}} | ||
| + | {{#set: produced by=RXN-10079|RXN-10078}} | ||
Latest revision as of 12:47, 10 January 2019
Contents
Metabolite 4-METHYLCATECHOL
- smiles:
- CC1(C=CC(O)=C(C=1)O)
- molecular weight:
- 124.139
- inchi key:
- InChIKey=ZBCATMYQYDCTIZ-UHFFFAOYSA-N
- common name:
- 4-methylcatechol
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- NCI:
- CHEMSPIDER:
- DRUGBANK : DB04120
- REFMET : 4-Methylcatechol
- PUBCHEM:
- CHEBI:
- CAS : 452-86-8
- LIGAND-CPD:
- HMDB : HMDB00873
