Difference between revisions of "CPD-8847"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8847 CPD-8847] == * smiles: ** C=CC(C)=O * common name: ** but-1-en-3-one * inchi key: ** I...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C=CC(C)=O | ** C=CC(C)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 70.091 | ** 70.091 | ||
| + | * inchi key: | ||
| + | ** InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** but-1-en-3-one | ||
* Synonym(s): | * Synonym(s): | ||
** methyl vinyl ketone | ** methyl vinyl ketone | ||
| Line 19: | Line 19: | ||
* [[RXN-12293]] | * [[RXN-12293]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-11911]] | ||
* [[RXN-8619]] | * [[RXN-8619]] | ||
* [[RXN-8620]] | * [[RXN-8620]] | ||
| − | |||
== 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=48058 48058] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48058 48058] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6570 6570] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6570 6570] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C20701 C20701] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.6322.html 6322] | ||
{{#set: smiles=C=CC(C)=O}} | {{#set: smiles=C=CC(C)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=70.091 }} | {{#set: molecular weight=70.091 }} | ||
| + | {{#set: inchi key=InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=but-1-en-3-one}} | ||
{{#set: common name=methyl vinyl ketone|3-buten-2-one|1-buten-3-one|but-3-en-2-one|3-oxo-1-butene}} | {{#set: common name=methyl vinyl ketone|3-buten-2-one|1-buten-3-one|but-3-en-2-one|3-oxo-1-butene}} | ||
{{#set: consumed by=RXN-12293}} | {{#set: consumed by=RXN-12293}} | ||
| − | {{#set: produced by=RXN- | + | {{#set: produced by=RXN-11911|RXN-8619|RXN-8620}} |
Latest revision as of 17:58, 9 January 2019
Contents
Metabolite CPD-8847
- smiles:
- C=CC(C)=O
- molecular weight:
- 70.091
- inchi key:
- InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N
- common name:
- but-1-en-3-one
- Synonym(s):
- methyl vinyl ketone
- 3-buten-2-one
- 1-buten-3-one
- but-3-en-2-one
- 3-oxo-1-butene
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
