Difference between revisions of "RXN-15129"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIACETYL DIACETYL] == * smiles: ** CC(C(C)=O)=O * inchi key: ** InChIKey=QSJXEFYPDANLFS-UHFFFAO...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] == * smiles: ** C1(OCCCCC1)=O * common name: ** ε-caprolactone * inchi...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C1(OCCCCC1)=O |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** ε-caprolactone |
| + | * inchi key: | ||
| + | ** InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 114.144 |
* Synonym(s): | * Synonym(s): | ||
| − | ** 2 | + | ** 1-oxa-2-oxocycloheptane |
| − | ** | + | ** 6-hexanolide |
| − | + | ** hexano-6-lactone | |
| − | + | ||
| − | ** | + | |
| − | + | ||
| − | + | ||
| − | + | ||
== 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 == | ||
| − | * [[ | + | * [[CYCLOHEXANONE-MONOOXYGENASE-RXN]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * CAS : | + | * CAS : 502-44-3 |
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10401 10401] |
| − | * HMDB : | + | * HMDB : HMDB60476 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01880 C01880] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.9972.html 9972] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17915 17915] |
| − | {{#set: smiles= | + | {{#set: smiles=C1(OCCCCC1)=O}} |
| − | {{#set: | + | {{#set: common name=ε-caprolactone}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=114.144 }} |
| − | {{#set: common name=2 | + | {{#set: common name=1-oxa-2-oxocycloheptane|6-hexanolide|hexano-6-lactone}} |
| − | {{#set: produced by= | + | {{#set: produced by=CYCLOHEXANONE-MONOOXYGENASE-RXN}} |
Revision as of 16:26, 21 March 2018
Contents
Metabolite CPD-101
- smiles:
- C1(OCCCCC1)=O
- common name:
- ε-caprolactone
- inchi key:
- InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N
- molecular weight:
- 114.144
- Synonym(s):
- 1-oxa-2-oxocycloheptane
- 6-hexanolide
- hexano-6-lactone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
