Difference between revisions of "CPD-661"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-D-GALACTOSE ALPHA-D-GALACTOSE] == * smiles: ** C(O)C1(OC(O)C(O)C(O)C(O)1) * inchi key: **...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-661 CPD-661] == * smiles: ** C#CC([O-])=O * inchi key: ** InChIKey=UORVCLMRJXCDCP-UHFFFAOYS...") |
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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-661 CPD-661] == |
* smiles: | * smiles: | ||
| − | ** C(O) | + | ** C#CC([O-])=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M |
* common name: | * common name: | ||
| − | ** | + | ** propynoate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 69.04 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** acetylene monocarboxylic acid |
| − | ** | + | ** Propiolic acid |
| + | ** Acetylenecarboxylic acid | ||
| + | ** Acetylenemonocarboxylate | ||
== 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 == | ||
| − | |||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | * [[ | + | * [[RXN-14224]] |
| − | + | ||
== External links == | == External links == | ||
| + | * CAS : 471-25-0 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459765 5459765] |
| − | * HMDB : | + | * HMDB : HMDB06804 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00804 C00804] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.4573549.html 4573549] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15364 15364] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC15364 |
| − | {{#set: smiles=C(O) | + | {{#set: smiles=C#CC([O-])=O}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M}} |
| − | {{#set: common name= | + | {{#set: common name=propynoate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=69.04 }} |
| − | {{#set: common name= | + | {{#set: common name=acetylene monocarboxylic acid|Propiolic acid|Acetylenecarboxylic acid|Acetylenemonocarboxylate}} |
| − | + | {{#set: reversible reaction associated=RXN-14224}} | |
| − | {{#set: reversible reaction associated= | + | |
Latest revision as of 19:01, 21 March 2018
Contents
Metabolite CPD-661
- smiles:
- C#CC([O-])=O
- inchi key:
- InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M
- common name:
- propynoate
- molecular weight:
- 69.04
- Synonym(s):
- acetylene monocarboxylic acid
- Propiolic acid
- Acetylenecarboxylic acid
- Acetylenemonocarboxylate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 471-25-0
- PUBCHEM:
- HMDB : HMDB06804
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC15364
