Difference between revisions of "CPD-14756"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14756 CPD-14756] == * smiles: ** CSC(C1(C=CC=CC=1))=O * common name: ** methylthiobenzoate...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSC(C1(C=CC=CC=1))=O | ** CSC(C1(C=CC=CC=1))=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 152.211 | ** 152.211 | ||
| + | * inchi key: | ||
| + | ** InChIKey=RQVWTMCUTHKGCM-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** methylthiobenzoate | ||
* Synonym(s): | * Synonym(s): | ||
** methylthiobenzoic acid | ** methylthiobenzoic acid | ||
| Line 23: | Line 23: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.72278.html 72278] | ** [http://www.chemspider.com/Chemical-Structure.72278.html 72278] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=80024 80024] | ||
* HMDB : HMDB29694 | * HMDB : HMDB29694 | ||
| + | * CAS : 5925-68-8 | ||
{{#set: smiles=CSC(C1(C=CC=CC=1))=O}} | {{#set: smiles=CSC(C1(C=CC=CC=1))=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=152.211 }} | {{#set: molecular weight=152.211 }} | ||
| + | {{#set: inchi key=InChIKey=RQVWTMCUTHKGCM-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=methylthiobenzoate}} | ||
{{#set: common name=methylthiobenzoic acid|thiobenzoic acid methylthioester|S-methyl benzenecarbothioate|benzenecarbothioic acid, S-methyl ester|S-ethyl benzothioate|(S)-methyl thiobenzoate|thiobenzoic acid methyl ester}} | {{#set: common name=methylthiobenzoic acid|thiobenzoic acid methylthioester|S-methyl benzenecarbothioate|benzenecarbothioic acid, S-methyl ester|S-ethyl benzothioate|(S)-methyl thiobenzoate|thiobenzoic acid methyl ester}} | ||
{{#set: produced by=RXN-13725}} | {{#set: produced by=RXN-13725}} | ||
Latest revision as of 14:58, 10 January 2019
Contents
Metabolite CPD-14756
- smiles:
- CSC(C1(C=CC=CC=1))=O
- molecular weight:
- 152.211
- inchi key:
- InChIKey=RQVWTMCUTHKGCM-UHFFFAOYSA-N
- common name:
- methylthiobenzoate
- Synonym(s):
- methylthiobenzoic acid
- thiobenzoic acid methylthioester
- S-methyl benzenecarbothioate
- benzenecarbothioic acid, S-methyl ester
- S-ethyl benzothioate
- (S)-methyl thiobenzoate
- thiobenzoic acid methyl ester
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
