Difference between revisions of "ACETOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOL ACETOL] == * smiles: ** CC(=O)CO * common name: ** acetol * inchi key: ** InChIKey=XLSMF...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)CO | ** CC(=O)CO | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 74.079 | ** 74.079 | ||
| + | * inchi key: | ||
| + | ** InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** acetol | ||
* Synonym(s): | * Synonym(s): | ||
** 1-hydroxy-2-propanone | ** 1-hydroxy-2-propanone | ||
| Line 16: | Line 16: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
* [[RXN-17625]] | * [[RXN-17625]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
* [[RXN-8630]] | * [[RXN-8630]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[RXN-17627]] | ||
== External links == | == External links == | ||
| − | * | + | * CHEMSPIDER: |
| + | ** [http://www.chemspider.com/Chemical-Structure.16490019.html 16490019] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8299 8299] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8299 8299] | ||
| + | * REFMET : Hydroxyacetone | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27957 27957] | ||
* HMDB : HMDB06961 | * HMDB : HMDB06961 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05235 C05235] | ** [http://www.genome.jp/dbget-bin/www_bget?C05235 C05235] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC27957 | * METABOLIGHTS : MTBLC27957 | ||
| + | * BIGG : acetol | ||
{{#set: smiles=CC(=O)CO}} | {{#set: smiles=CC(=O)CO}} | ||
| − | |||
| − | |||
{{#set: molecular weight=74.079 }} | {{#set: molecular weight=74.079 }} | ||
| + | {{#set: inchi key=InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=acetol}} | ||
{{#set: common name=1-hydroxy-2-propanone|hydroxyacetone|acetylmethanol|1-hydroxyacetone}} | {{#set: common name=1-hydroxy-2-propanone|hydroxyacetone|acetylmethanol|1-hydroxyacetone}} | ||
| − | {{#set: consumed by= | + | {{#set: consumed by=RXN-17625}} |
{{#set: produced by=RXN-8630}} | {{#set: produced by=RXN-8630}} | ||
| + | {{#set: reversible reaction associated=RXN-17627}} | ||
Latest revision as of 13:31, 10 January 2019
Contents
Metabolite ACETOL
- smiles:
- CC(=O)CO
- molecular weight:
- 74.079
- inchi key:
- InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N
- common name:
- acetol
- Synonym(s):
- 1-hydroxy-2-propanone
- hydroxyacetone
- acetylmethanol
- 1-hydroxyacetone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- PUBCHEM:
- REFMET : Hydroxyacetone
- CHEBI:
- HMDB : HMDB06961
- LIGAND-CPD:
- METABOLIGHTS : MTBLC27957
- BIGG : acetol
