Difference between revisions of "CPD-196"

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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(...")
 
 
Line 3: Line 3:
 
* 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-]
 
** 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-]
−
* common name:
 
−
** octanoyl-CoA
 
−
* inchi key:
 
−
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
 
 
* molecular weight:
 
* molecular weight:
 
** 889.7     
 
** 889.7     
 +
* inchi key:
 +
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
 +
* common name:
 +
** octanoyl-CoA
 
* Synonym(s):
 
* Synonym(s):
 
** Octanoyl-CoA (n-C8:0CoA)
 
** Octanoyl-CoA (n-C8:0CoA)
Line 14: Line 14:
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[ACOA80OR]]
 
* [[3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.]]
 
* [[3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.]]
 +
* [[ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.]]
 +
* [[ACACT4h]]
 
* [[RXN-12669]]
 
* [[RXN-12669]]
 
* [[THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.]]
 
* [[THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.]]
−
* [[ACOA80OR]]
 
−
* [[ACACT4h]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
* [[RXN-13617]]
 
* [[RXN-13617]]
 
* [[R223-RXN]]
 
* [[R223-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ACACT4]]
 
* [[RXN-14229]]
 
* [[RXN-14229]]
−
* [[ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.]]
 
−
* [[ACACT4]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : occoa
 
 
* PUBCHEM:
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
 +
* REFMET : Octanoyl-CoA
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
 
* HMDB : HMDB01070
 
* HMDB : HMDB01070
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
 
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
 
 
* METABOLIGHTS : MTBLC57386
 
* METABOLIGHTS : MTBLC57386
 +
* BIGG : occoa
 
{{#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-]}}
 
{{#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-]}}
−
{{#set: common name=octanoyl-CoA}}
 
−
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
 
 
{{#set: molecular weight=889.7    }}
 
{{#set: molecular weight=889.7    }}
 +
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
 +
{{#set: common name=octanoyl-CoA}}
 
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
 
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
−
{{#set: consumed by=3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.|RXN-12669|THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.|ACOA80OR|ACACT4h}}
+
{{#set: consumed by=ACOA80OR|3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.|ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.|ACACT4h|RXN-12669|THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.}}
 
{{#set: produced by=RXN-13617|R223-RXN}}
 
{{#set: produced by=RXN-13617|R223-RXN}}
−
{{#set: reversible reaction associated=RXN-14229|ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.|ACACT4}}
+
{{#set: reversible reaction associated=ACACT4|RXN-14229}}

Latest revision as of 15:25, 10 January 2019

Metabolite CPD-196

  • 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-]
  • molecular weight:
    • 889.7
  • inchi key:
    • InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
  • common name:
    • octanoyl-CoA
  • Synonym(s):
    • Octanoyl-CoA (n-C8:0CoA)
    • capryloyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • REFMET : Octanoyl-CoA
  • CHEBI:
  • HMDB : HMDB01070
  • LIGAND-CPD:
  • METABOLIGHTS : MTBLC57386
  • BIGG : occoa
"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-" cannot be used as a page name in this wiki.



"THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48." cannot be used as a page name in this wiki.


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