Difference between revisions of "CPD-14757"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14757 CPD-14757] == * smiles: ** CSC1(=CC=CC=C1) * common name: ** methylphenylsulfide * in...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSC1(=CC=CC=C1) | ** CSC1(=CC=CC=C1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 124.2 | ** 124.2 | ||
| + | * inchi key: | ||
| + | ** InChIKey=HNKJADCVZUBCPG-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** methylphenylsulfide | ||
* Synonym(s): | * Synonym(s): | ||
** thioanisole | ** thioanisole | ||
| Line 22: | Line 22: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=134281 134281] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7520 7520] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7520 7520] | ||
* HMDB : HMDB34448 | * HMDB : HMDB34448 | ||
{{#set: smiles=CSC1(=CC=CC=C1)}} | {{#set: smiles=CSC1(=CC=CC=C1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=124.2 }} | {{#set: molecular weight=124.2 }} | ||
| + | {{#set: inchi key=InChIKey=HNKJADCVZUBCPG-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=methylphenylsulfide}} | ||
{{#set: common name=thioanisole|methyl phenyl sulfide|(methylthio)benzene|phenyl methyl sulfide|phenylthiomethane|methylthiobenzene}} | {{#set: common name=thioanisole|methyl phenyl sulfide|(methylthio)benzene|phenyl methyl sulfide|phenylthiomethane|methylthiobenzene}} | ||
{{#set: produced by=RXN-13726}} | {{#set: produced by=RXN-13726}} | ||
Latest revision as of 13:01, 10 January 2019
Contents
Metabolite CPD-14757
- smiles:
- CSC1(=CC=CC=C1)
- molecular weight:
- 124.2
- inchi key:
- InChIKey=HNKJADCVZUBCPG-UHFFFAOYSA-N
- common name:
- methylphenylsulfide
- Synonym(s):
- thioanisole
- methyl phenyl sulfide
- (methylthio)benzene
- phenyl methyl sulfide
- phenylthiomethane
- methylthiobenzene
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
