Difference between revisions of "3-KETO-ADIPYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] == * smiles: ** CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCC(=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(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=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=KQMZYOXOBSXMII-CECATXLMSA-J
+
** InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
 
* common name:
 
* common name:
−
** octanoyl-CoA
+
** 3-oxoadipyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 889.7    
+
** 904.605    
 
* Synonym(s):
 
* Synonym(s):
−
** Octanoyl-CoA (n-C8:0CoA)
+
** 3-ketoadipyl-CoA
−
** capryloyl-CoA
+
** 3-keto-adipyl-coa
 +
** β-ketoadipyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12669]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13617]]
 
−
* [[R223-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN0-2044]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 38747
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266578 45266578]
−
* HMDB : HMDB01070
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57348 57348]
−
* METABOLIGHTS : MTBLC57386
+
* LIGAND-CPD:
−
{{#set: smiles=CCCCCCCC(=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-]}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02232 C02232]
−
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
+
* HMDB : HMDB60378
−
{{#set: common name=octanoyl-CoA}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=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: molecular weight=889.7   }}
+
{{#set: inchi key=InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I}}
−
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
+
{{#set: common name=3-oxoadipyl-CoA}}
−
{{#set: consumed by=RXN-12669}}
+
{{#set: molecular weight=904.605   }}
−
{{#set: produced by=RXN-13617|R223-RXN}}
+
{{#set: common name=3-ketoadipyl-CoA|3-keto-adipyl-coa|β-ketoadipyl-CoA}}
 +
{{#set: reversible reaction associated=RXN0-2044}}

Latest revision as of 19:59, 21 March 2018

Metabolite 3-KETO-ADIPYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=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=VKKKAAPGXHWXOO-BIEWRJSYSA-I
  • common name:
    • 3-oxoadipyl-CoA
  • molecular weight:
    • 904.605
  • Synonym(s):
    • 3-ketoadipyl-CoA
    • 3-keto-adipyl-coa
    • β-ketoadipyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=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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