Difference between revisions of "PWY-6664"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] == * smiles: ** CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O...")
(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 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-661 CPD-661] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** C#CC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
+
** InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 3-oxo-palmitoyl-CoA
+
** propynoate
 
* molecular weight:
 
* molecular weight:
−
** 1015.898    
+
** 69.04    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-keto-palmitoyl-CoA
+
** acetylene monocarboxylic acid
−
** 3-oxohexadecanoyl-CoA
+
** 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 ==
−
* [[RXN-14271]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14224]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 45445
+
* CAS : 471-25-0
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244191 25244191]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459765 5459765]
−
* HMDB : HMDB06402
+
* HMDB : HMDB06804
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05259 C05259]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00804 C00804]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573549.html 4573549]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57349 57349]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15364 15364]
−
* METABOLIGHTS : MTBLC57349
+
* METABOLIGHTS : MTBLC15364
−
{{#set: smiles=CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
{{#set: smiles=C#CC([O-])=O}}
−
{{#set: inchi key=InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J}}
+
{{#set: inchi key=InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-M}}
−
{{#set: common name=3-oxo-palmitoyl-CoA}}
+
{{#set: common name=propynoate}}
−
{{#set: molecular weight=1015.898   }}
+
{{#set: molecular weight=69.04   }}
−
{{#set: common name=3-keto-palmitoyl-CoA|3-oxohexadecanoyl-CoA}}
+
{{#set: common name=acetylene monocarboxylic acid|Propiolic acid|Acetylenecarboxylic acid|Acetylenemonocarboxylate}}
−
{{#set: produced by=RXN-14271}}
+
{{#set: reversible reaction associated=RXN-14224}}

Revision as of 13:11, 21 March 2018

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




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