Difference between revisions of "CPD-661"
From metabolic_network
(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...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C#CC([O-])=O | ** C#CC([O-])=O | ||
| + | * molecular weight: | ||
| + | ** 69.04 | ||
* inchi key: | * inchi key: | ||
** InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M | ** InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** propynoate | ** propynoate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** acetylene monocarboxylic acid | ** acetylene monocarboxylic acid | ||
| Line 20: | Line 20: | ||
* [[RXN-14224]] | * [[RXN-14224]] | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC15364 | ||
* CAS : 471-25-0 | * CAS : 471-25-0 | ||
| − | |||
| − | |||
* HMDB : HMDB06804 | * HMDB : HMDB06804 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573549.html 4573549] | ** [http://www.chemspider.com/Chemical-Structure.4573549.html 4573549] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15364 15364] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15364 15364] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00804 C00804] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459765 5459765] | ||
{{#set: smiles=C#CC([O-])=O}} | {{#set: smiles=C#CC([O-])=O}} | ||
| + | {{#set: molecular weight=69.04 }} | ||
{{#set: inchi key=InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M}} | ||
{{#set: common name=propynoate}} | {{#set: common name=propynoate}} | ||
| − | |||
{{#set: common name=acetylene monocarboxylic acid|Propiolic acid|Acetylenecarboxylic acid|Acetylenemonocarboxylate}} | {{#set: common name=acetylene monocarboxylic acid|Propiolic acid|Acetylenecarboxylic acid|Acetylenemonocarboxylate}} | ||
{{#set: reversible reaction associated=RXN-14224}} | {{#set: reversible reaction associated=RXN-14224}} | ||
Latest revision as of 15:01, 9 January 2019
Contents
Metabolite CPD-661
- smiles:
- C#CC([O-])=O
- molecular weight:
- 69.04
- inchi key:
- InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M
- common name:
- propynoate
- 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
- METABOLIGHTS : MTBLC15364
- CAS : 471-25-0
- HMDB : HMDB06804
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
