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 * common name: ** 1,2-dihydroxy-5-(methylthi...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CSCCC(C([O-])=CO)=O | ** CSCCC(C([O-])=CO)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 161.195 | ** 161.195 | ||
| + | * inchi key: | ||
| + | ** InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M | ||
| + | * common name: | ||
| + | ** 1,2-dihydroxy-5-(methylsulfanyl)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 14: | Line 14: | ||
** 1,2-dihydroxy-3-keto-5-methylthiopentene | ** 1,2-dihydroxy-3-keto-5-methylthiopentene | ||
** acireductone | ** acireductone | ||
| + | ** 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| Line 20: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * REFMET : 1,2-Dihydroxy-3-keto-5-methylthiopentene | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229177 44229177] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229177 44229177] | ||
| Line 28: | Line 30: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C15606 C15606] | ** [http://www.genome.jp/dbget-bin/www_bget?C15606 C15606] | ||
{{#set: smiles=CSCCC(C([O-])=CO)=O}} | {{#set: smiles=CSCCC(C([O-])=CO)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=161.195 }} | {{#set: molecular weight=161.195 }} | ||
| − | {{#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: inchi key=InChIKey=CILXJJLQPTUUSS-XQRVVYSFSA-M}} |
| + | {{#set: common name=1,2-dihydroxy-5-(methylsulfanyl)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|1,2-dihydroxy-5-(methylthio)pent-1-en-3-one}} | ||
{{#set: consumed by=R147-RXN}} | {{#set: consumed by=R147-RXN}} | ||
Latest revision as of 10:37, 10 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-(methylsulfanyl)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
- 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- REFMET : 1,2-Dihydroxy-3-keto-5-methylthiopentene
- PUBCHEM:
- HMDB : HMDB12134
- CHEBI:
- LIGAND-CPD:
"CSCCC(C([O-])=CO)=O" cannot be used as a page name in this wiki.
