Difference between revisions of "CPD-85"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-85 CPD-85] == * smiles: ** CSCCC(C([O-])=CO)=O * inchi key: ** InChIKey=CILXJJLQPTUUSS-XQRV...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCC(C([O-])=CO)=O | ** CSCCC(C([O-])=CO)=O | ||
| + | * molecular weight: | ||
| + | ** 161.195 | ||
* inchi key: | * inchi key: | ||
** InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M | ** InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M | ||
* common name: | * common name: | ||
** 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one | ** 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 1,2-dihydroxy-3-keto-5-methylthiopentene anion | ** 1,2-dihydroxy-3-keto-5-methylthiopentene anion | ||
| Line 17: | Line 17: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[3.1.3.77-RXN]] | * [[3.1.3.77-RXN]] | ||
| + | * [[R83-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58795 58795] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58795 58795] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229177 44229177] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C15606 C15606] | ** [http://www.genome.jp/dbget-bin/www_bget?C15606 C15606] | ||
* HMDB : HMDB12134 | * HMDB : HMDB12134 | ||
{{#set: smiles=CSCCC(C([O-])=CO)=O}} | {{#set: smiles=CSCCC(C([O-])=CO)=O}} | ||
| + | {{#set: molecular weight=161.195 }} | ||
{{#set: inchi key=InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M}} | {{#set: inchi key=InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M}} | ||
{{#set: common name=1,2-dihydroxy-5-(methylthio)pent-1-en-3-one}} | {{#set: common name=1,2-dihydroxy-5-(methylthio)pent-1-en-3-one}} | ||
| − | |||
{{#set: common name=1,2-dihydroxy-3-keto-5-methylthiopentene anion|1,2-dihydroxy-3-keto-5-methylthiopentane|1,2-dihydroxy-3-keto-5-methylthiopentene|acireductone}} | {{#set: common name=1,2-dihydroxy-3-keto-5-methylthiopentene anion|1,2-dihydroxy-3-keto-5-methylthiopentane|1,2-dihydroxy-3-keto-5-methylthiopentene|acireductone}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=3.1.3.77-RXN|R83-RXN}} |
Latest revision as of 15:58, 9 January 2019
Contents
Metabolite CPD-85
- smiles:
- CSCCC(C([O-])=CO)=O
- molecular weight:
- 161.195
- inchi key:
- InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M
- common name:
- 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one
- Synonym(s):
- 1,2-dihydroxy-3-keto-5-methylthiopentene anion
- 1,2-dihydroxy-3-keto-5-methylthiopentane
- 1,2-dihydroxy-3-keto-5-methylthiopentene
- acireductone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CSCCC(C([O-])=CO)=O" cannot be used as a page name in this wiki.
