Difference between revisions of "ACETOL"

Latest revision as of 20:57, 21 March 2018

smiles:
- CC(=O)CO
common name:
- acetol
inchi key:
- InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N
molecular weight:
- 74.079
Synonym(s):
- 1-hydroxy-2-propanone
- hydroxyacetone
- acetylmethanol
- 1-hydroxyacetone

@@ Line 1: / Line 1: @@
 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=cis-delta19-C38-ACPs cis-delta19-C38-ACPs] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOL ACETOL] ==
+* smiles:
+** CC(=O)CO
 * common name:
-** a cis-delta19-C38:1-[acp]
+** acetol
+* inchi key:
+** InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N
+* molecular weight:
+** 74.079
 * Synonym(s):
+** 1-hydroxy-2-propanone
+** hydroxyacetone
+** acetylmethanol
+** 1-hydroxyacetone
 == Reaction(s) known to consume the compound ==
-* [[RXN1G-132]]
 == Reaction(s) known to produce the compound ==
-* [[RXN1G-1130]]
+* [[RXN-8630]]
 == Reaction(s) of unknown directionality ==
 == External links  ==
-{{#set: common name=a cis-delta19-C38:1-[acp]}}
+* BIGG : acetol
-{{#set: consumed by=RXN1G-132}}
+* PUBCHEM:
-{{#set: produced by=RXN1G-1130}}
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8299 8299]
+* HMDB : HMDB06961
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C05235 C05235]
+* CHEMSPIDER:
+** [http://www.chemspider.com/Chemical-Structure.16490019.html 16490019]
+* CHEBI:
+** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27957 27957]
+* METABOLIGHTS : MTBLC27957
+{{#set: smiles=CC(=O)CO}}
+{{#set: common name=acetol}}
+{{#set: inchi key=InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N}}
+{{#set: molecular weight=74.079    }}
+{{#set: common name=1-hydroxy-2-propanone|hydroxyacetone|acetylmethanol|1-hydroxyacetone}}
+{{#set: produced by=RXN-8630}}