Difference between revisions of "MALSYN-RXN"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-1718 CPD0-1718] == * smiles: ** C1(=NC2(=C(NC1)N=C(N)NC(=O)2)) * inchi key: ** InChIKey=PX...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13346 CPD-13346] == * smiles: ** CCCCOC(=O)C * common name: ** butyl acetate * inchi key: *...") |
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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-13346 CPD-13346] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CCCCOC(=O)C |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** butyl acetate |
| + | * inchi key: | ||
| + | ** InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 116.16 |
* Synonym(s): | * Synonym(s): | ||
| − | |||
| − | |||
== 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 == | ||
| + | * [[RXN-12362]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31272 31272] |
| + | * HMDB : HMDB31325 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C12304 C12304] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.14569822.html 14569822] |
| − | {{#set: smiles= | + | * CHEBI: |
| − | {{#set: | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31328 31328] |
| − | {{#set: | + | * METABOLIGHTS : MTBLC31328 |
| − | {{#set: molecular weight= | + | {{#set: smiles=CCCCOC(=O)C}} |
| − | {{#set: | + | {{#set: common name=butyl acetate}} |
| − | + | {{#set: inchi key=InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N}} | |
| + | {{#set: molecular weight=116.16 }} | ||
| + | {{#set: produced by=RXN-12362}} | ||
Revision as of 16:14, 21 March 2018
Contents
Metabolite CPD-13346
- smiles:
- CCCCOC(=O)C
- common name:
- butyl acetate
- inchi key:
- InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N
- molecular weight:
- 116.16
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- HMDB : HMDB31325
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC31328
