Difference between revisions of "CPD-8132"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8132 CPD-8132] == * smiles: ** C1(C=CC(=CC=1)[S-]) * common name: ** thiophenol * inchi key...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=CC(=CC=1)[S-]) | ** C1(C=CC(=CC=1)[S-]) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 109.165 | ** 109.165 | ||
| + | * inchi key: | ||
| + | ** InChIKey=RMVRSNDYEFQCLF-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** thiophenol | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48498 48498] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=518700 518700] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=518700 518700] | ||
| + | * HMDB : HMDB33746 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.452501.html 452501] | ** [http://www.chemspider.com/Chemical-Structure.452501.html 452501] | ||
| − | |||
| − | |||
| − | |||
{{#set: smiles=C1(C=CC(=CC=1)[S-])}} | {{#set: smiles=C1(C=CC(=CC=1)[S-])}} | ||
| − | |||
| − | |||
{{#set: molecular weight=109.165 }} | {{#set: molecular weight=109.165 }} | ||
| + | {{#set: inchi key=InChIKey=RMVRSNDYEFQCLF-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=thiophenol}} | ||
{{#set: consumed by=RXN-13726}} | {{#set: consumed by=RXN-13726}} | ||
Latest revision as of 15:11, 10 January 2019
Contents
Metabolite CPD-8132
- smiles:
- C1(C=CC(=CC=1)[S-])
- molecular weight:
- 109.165
- inchi key:
- InChIKey=RMVRSNDYEFQCLF-UHFFFAOYSA-M
- common name:
- thiophenol
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C1(C=CC(=CC=1)[S-])" cannot be used as a page name in this wiki.
