Difference between revisions of "CPD-9152"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9152 CPD-9152] == * smiles: ** C1(C=C(C(=CC=1Cl)O)O) * common name: ** 4-chlorocatechol * i...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=C(C(=CC=1Cl)O)O) | ** C1(C=C(C(=CC=1Cl)O)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 144.557 | ** 144.557 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WWOBYPKUYODHDG-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 4-chlorocatechol | ||
* Synonym(s): | * Synonym(s): | ||
** 4-chloropyrocatechol | ** 4-chloropyrocatechol | ||
| Line 16: | Line 16: | ||
== 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-9912]] | * [[RXN-9912]] | ||
| + | * [[RXN-9914]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27772 27772] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16496 16496] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16496 16496] | ||
| − | |||
| − | |||
* HMDB : HMDB41810 | * HMDB : HMDB41810 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02375 C02375] | ** [http://www.genome.jp/dbget-bin/www_bget?C02375 C02375] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.15638.html 15638] | ||
{{#set: smiles=C1(C=C(C(=CC=1Cl)O)O)}} | {{#set: smiles=C1(C=C(C(=CC=1Cl)O)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=144.557 }} | {{#set: molecular weight=144.557 }} | ||
| + | {{#set: inchi key=InChIKey=WWOBYPKUYODHDG-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=4-chlorocatechol}} | ||
{{#set: common name=4-chloropyrocatechol|4-chlorobenzene-1,2-diol|4-chloro-1,2-benzenediol}} | {{#set: common name=4-chloropyrocatechol|4-chlorobenzene-1,2-diol|4-chloro-1,2-benzenediol}} | ||
| − | {{#set: produced by=RXN- | + | {{#set: produced by=RXN-9912|RXN-9914}} |
Latest revision as of 13:23, 10 January 2019
Contents
Metabolite CPD-9152
- smiles:
- C1(C=C(C(=CC=1Cl)O)O)
- molecular weight:
- 144.557
- inchi key:
- InChIKey=WWOBYPKUYODHDG-UHFFFAOYSA-N
- common name:
- 4-chlorocatechol
- Synonym(s):
- 4-chloropyrocatechol
- 4-chlorobenzene-1,2-diol
- 4-chloro-1,2-benzenediol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
