Difference between revisions of "CPD-7036"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7036 CPD-7036] == * smiles: ** CSCCC=O * inchi key: ** InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCC=O | ** CSCCC=O | ||
| + | * molecular weight: | ||
| + | ** 104.167 | ||
* inchi key: | * inchi key: | ||
** InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N | ** InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** 3-methylthiopropanal | ** 3-methylthiopropanal | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** methional | ** methional | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49017 49017] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18635 18635] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18635 18635] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.17597.html 17597] | ** [http://www.chemspider.com/Chemical-Structure.17597.html 17597] | ||
| − | |||
| − | |||
* HMDB : HMDB31857 | * HMDB : HMDB31857 | ||
{{#set: smiles=CSCCC=O}} | {{#set: smiles=CSCCC=O}} | ||
| + | {{#set: molecular weight=104.167 }} | ||
{{#set: inchi key=InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N}} | ||
{{#set: common name=3-methylthiopropanal}} | {{#set: common name=3-methylthiopropanal}} | ||
| − | |||
{{#set: common name=methional|3-methylthiopropional|3-methylthio-propionaldehyde|3-methylsulfanyl-propanal|3-methylmercapto-propionaldehyde}} | {{#set: common name=methional|3-methylthiopropional|3-methylthio-propionaldehyde|3-methylsulfanyl-propanal|3-methylmercapto-propionaldehyde}} | ||
{{#set: consumed by=RXN-7706}} | {{#set: consumed by=RXN-7706}} | ||
Latest revision as of 15:22, 9 January 2019
Contents
Metabolite CPD-7036
- smiles:
- CSCCC=O
- molecular weight:
- 104.167
- inchi key:
- InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N
- common name:
- 3-methylthiopropanal
- Synonym(s):
- methional
- 3-methylthiopropional
- 3-methylthio-propionaldehyde
- 3-methylsulfanyl-propanal
- 3-methylmercapto-propionaldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
