Difference between revisions of "CPD-14746"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14746 CPD-14746] == * smiles: ** C(C1(C=CC=CC=1))(S)=O * common name: ** thiobenzoate * inc...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(C1(C=CC=CC=1))(S)=O | ** C(C1(C=CC=CC=1))(S)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 138.184 | ** 138.184 | ||
| + | * inchi key: | ||
| + | ** InChIKey=UIJGNTRUPZPVNG-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** thiobenzoate | ||
* Synonym(s): | * Synonym(s): | ||
** thiobenzoic acid | ** thiobenzoic acid | ||
| Line 24: | Line 24: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7414 7414] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7414 7414] | ||
{{#set: smiles=C(C1(C=CC=CC=1))(S)=O}} | {{#set: smiles=C(C1(C=CC=CC=1))(S)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=138.184 }} | {{#set: molecular weight=138.184 }} | ||
| + | {{#set: inchi key=InChIKey=UIJGNTRUPZPVNG-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=thiobenzoate}} | ||
{{#set: common name=thiobenzoic acid|benzenecarbothioc acid|thiolbenzoic acid|monothiolbenzoic acid|benzoyl thiol}} | {{#set: common name=thiobenzoic acid|benzenecarbothioc acid|thiolbenzoic acid|monothiolbenzoic acid|benzoyl thiol}} | ||
{{#set: consumed by=RXN-13725}} | {{#set: consumed by=RXN-13725}} | ||
Latest revision as of 14:54, 10 January 2019
Contents
Metabolite CPD-14746
- smiles:
- C(C1(C=CC=CC=1))(S)=O
- molecular weight:
- 138.184
- inchi key:
- InChIKey=UIJGNTRUPZPVNG-UHFFFAOYSA-N
- common name:
- thiobenzoate
- Synonym(s):
- thiobenzoic acid
- benzenecarbothioc acid
- thiolbenzoic acid
- monothiolbenzoic acid
- benzoyl thiol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
