Difference between revisions of "1.3.1.9-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13575 CPD-13575] == * smiles: ** CC1(C(=CCOP([O-])(=O)[O-])SC(C(=O)[O-])N=1) * inchi key: *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-PROPIONYL-COA 3-HYDROXY-PROPIONYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13575 CPD-13575] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-PROPIONYL-COA 3-HYDROXY-PROPIONYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC1(C(=CCOP([O-])(=O)[O-])SC(C(=O)[O-])N=1)
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCO)=O)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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=PQMCQNOVNFNPFJ-HYIMLASBSA-K
+
** InChIKey=BERBFZCUSMQABM-IEXPHMLFSA-J
 
* common name:
 
* common name:
−
** 2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate
+
** 3-hydroxypropanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 264.169    
+
** 835.566    
 
* Synonym(s):
 
* Synonym(s):
−
** cThz*-P
+
** 3-hydroxypropionyl-coenzyme A
−
** thiazole tautomer
+
** 3-hydroxypropionyl-CoA
−
** (R,Z)-2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate
+
** 3-hydroxypropanoyl coenzymeA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12611]]
+
* [[RXN-6384]]
 +
* [[HICH]]
 
== 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-6383]]
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
* LIGAND-CPD:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53477654 53477654]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05668 C05668]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62899 62899]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58528 58528]
−
{{#set: smiles=CC1(C(=CCOP([O-])(=O)[O-])SC(C(=O)[O-])N=1)}}
+
* METABOLIGHTS : MTBLC58528
−
{{#set: inchi key=InChIKey=PQMCQNOVNFNPFJ-HYIMLASBSA-K}}
+
* PUBCHEM:
−
{{#set: common name=2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229175 44229175]
−
{{#set: molecular weight=264.169   }}
+
* HMDB : HMDB06807
−
{{#set: common name=cThz*-P|thiazole tautomer|(R,Z)-2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCO)=O)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: consumed by=RXN-12611}}
+
{{#set: inchi key=InChIKey=BERBFZCUSMQABM-IEXPHMLFSA-J}}
 +
{{#set: common name=3-hydroxypropanoyl-CoA}}
 +
{{#set: molecular weight=835.566   }}
 +
{{#set: common name=3-hydroxypropionyl-coenzyme A|3-hydroxypropionyl-CoA|3-hydroxypropanoyl coenzymeA}}
 +
{{#set: consumed by=RXN-6384|HICH}}
 +
{{#set: consumed or produced by=RXN-6383}}

Revision as of 17:12, 10 January 2018

Metabolite 3-HYDROXY-PROPIONYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCO)=O)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-]
  • inchi key:
    • InChIKey=BERBFZCUSMQABM-IEXPHMLFSA-J
  • common name:
    • 3-hydroxypropanoyl-CoA
  • molecular weight:
    • 835.566
  • Synonym(s):
    • 3-hydroxypropionyl-coenzyme A
    • 3-hydroxypropionyl-CoA
    • 3-hydroxypropanoyl coenzymeA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC58528
  • PUBCHEM:
  • HMDB : HMDB06807
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCO)=O)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-" cannot be used as a page name in this wiki.




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