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=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=...")
 
 
Line 3: Line 3:
 
* smiles:
 
* 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-]
 
** 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-]
 +
* molecular weight:
 +
** 904.605   
 
* inchi key:
 
* inchi key:
 
** InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
 
** InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
 
* common name:
 
* common name:
 
** 3-oxoadipyl-CoA
 
** 3-oxoadipyl-CoA
* molecular weight:
 
** 904.605   
 
 
* Synonym(s):
 
* Synonym(s):
 
** 3-ketoadipyl-CoA
 
** 3-ketoadipyl-CoA
Line 19: Line 19:
 
* [[RXN0-2044]]
 
* [[RXN0-2044]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266578 45266578]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57348 57348]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57348 57348]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266578 45266578]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C02232 C02232]
 
** [http://www.genome.jp/dbget-bin/www_bget?C02232 C02232]
 
* HMDB : HMDB60378
 
* HMDB : HMDB60378
 
{{#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: 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=904.605    }}
 
{{#set: inchi key=InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I}}
 
{{#set: inchi key=InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I}}
 
{{#set: common name=3-oxoadipyl-CoA}}
 
{{#set: common name=3-oxoadipyl-CoA}}
{{#set: molecular weight=904.605    }}
 
 
{{#set: common name=3-ketoadipyl-CoA|3-keto-adipyl-coa|β-ketoadipyl-CoA}}
 
{{#set: common name=3-ketoadipyl-CoA|3-keto-adipyl-coa|β-ketoadipyl-CoA}}
 
{{#set: reversible reaction associated=RXN0-2044}}
 
{{#set: reversible reaction associated=RXN0-2044}}

Latest revision as of 18:17, 9 January 2019

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-]
  • molecular weight:
    • 904.605
  • inchi key:
    • InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
  • common name:
    • 3-oxoadipyl-CoA
  • 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.