Difference between revisions of "CPD-511"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-511 CPD-511] == * smiles: ** CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO * common name: ** pantetheine *...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-511 CPD-511] ==
 
* smiles:
 
* smiles:
−
** CC(=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-])CC(=O)[O-]
+
** CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO
−
* inchi key:
+
−
** InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I
+
 
* common name:
 
* common name:
−
** 3-methylglutaconyl-CoA
+
** pantetheine
 +
* inchi key:
 +
** InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N
 
* molecular weight:
 
* molecular weight:
−
** 888.606    
+
** 278.366    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-3-methylglutaconyl-CoA
+
** pantotheine
−
** (E)-3-methylglutaconyl-1-CoA
+
  
 
== 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 ==
−
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[METHYLGLUTACONYL-COA-HYDRATASE-RXN]]
+
* [[PANTETHEINE-KINASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 496-65-1
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657229 90657229]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439322 439322]
−
* CHEBI:
+
* HMDB : HMDB03426
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15488 15488]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03231 C03231]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00831 C00831]
−
* HMDB : HMDB01057
+
* CHEMSPIDER:
−
{{#set: smiles=CC(=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-])CC(=O)[O-]}}
+
** [http://www.chemspider.com/Chemical-Structure.388453.html 388453]
−
{{#set: inchi key=InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I}}
+
* CHEBI:
−
{{#set: common name=3-methylglutaconyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16753 16753]
−
{{#set: molecular weight=888.606   }}
+
* METABOLIGHTS : MTBLC16753
−
{{#set: common name=trans-3-methylglutaconyl-CoA|(E)-3-methylglutaconyl-1-CoA}}
+
{{#set: smiles=CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO}}
−
{{#set: produced by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}}
+
{{#set: common name=pantetheine}}
−
{{#set: consumed or produced by=METHYLGLUTACONYL-COA-HYDRATASE-RXN}}
+
{{#set: inchi key=InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N}}
 +
{{#set: molecular weight=278.366   }}
 +
{{#set: common name=pantotheine}}
 +
{{#set: reversible reaction associated=PANTETHEINE-KINASE-RXN}}

Latest revision as of 21:16, 21 March 2018

Metabolite CPD-511

  • smiles:
    • CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO
  • common name:
    • pantetheine
  • inchi key:
    • InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N
  • molecular weight:
    • 278.366
  • Synonym(s):
    • pantotheine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 496-65-1
  • PUBCHEM:
  • HMDB : HMDB03426
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16753




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