Difference between revisions of "RXN3O-1803"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4126 CPD-4126] == * smiles: ** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CC...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] == * smiles: ** CC(=O)C * inchi key: ** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N *...") |
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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=ACETONE ACETONE] == |
* smiles: | * smiles: | ||
| − | ** CC | + | ** CC(=O)C |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N |
* common name: | * common name: | ||
| − | ** | + | ** acetone |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 58.08 |
* Synonym(s): | * Synonym(s): | ||
| + | ** dimethylketone | ||
| + | ** 2-propanone | ||
| + | ** propanone | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-8630]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CAS : 67-64-1 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=180 180] |
| − | * | + | * HMDB : HMDB01659 |
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00207 C00207] |
| − | * | + | * CHEMSPIDER: |
| − | {{#set: smiles=CC | + | ** [http://www.chemspider.com/Chemical-Structure.175.html 175] |
| − | {{#set: inchi key=InChIKey= | + | * CHEBI: |
| − | {{#set: common name= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15347 15347] |
| − | {{#set: molecular weight= | + | * METABOLIGHTS : MTBLC15347 |
| − | {{#set: | + | {{#set: smiles=CC(=O)C}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N}} |
| + | {{#set: common name=acetone}} | ||
| + | {{#set: molecular weight=58.08 }} | ||
| + | {{#set: common name=dimethylketone|2-propanone|propanone}} | ||
| + | {{#set: consumed by=RXN-8630}} | ||
Revision as of 21:59, 17 March 2018
Contents
Metabolite ACETONE
- smiles:
- CC(=O)C
- inchi key:
- InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
- common name:
- acetone
- molecular weight:
- 58.08
- Synonym(s):
- dimethylketone
- 2-propanone
- propanone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 67-64-1
- PUBCHEM:
- HMDB : HMDB01659
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC15347
