Difference between revisions of "CAFFEOYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CAFFEOYL-COA CAFFEOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 +
* molecular weight:
 +
** 925.647   
 
* inchi key:
 
* inchi key:
 
** InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
 
** InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
 
* common name:
 
* common name:
 
** trans-caffeoyl-CoA
 
** trans-caffeoyl-CoA
* molecular weight:
 
** 925.647   
 
 
* Synonym(s):
 
* Synonym(s):
 
** 3,4-dihydroxyacryloyl-CoA
 
** 3,4-dihydroxyacryloyl-CoA
Line 18: Line 18:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266599 45266599]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57372 57372]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57372 57372]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266599 45266599]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00323 C00323]
 
** [http://www.genome.jp/dbget-bin/www_bget?C00323 C00323]
 
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
 
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
 +
{{#set: molecular weight=925.647    }}
 
{{#set: inchi key=InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J}}
 
{{#set: inchi key=InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J}}
 
{{#set: common name=trans-caffeoyl-CoA}}
 
{{#set: common name=trans-caffeoyl-CoA}}
{{#set: molecular weight=925.647    }}
 
 
{{#set: common name=3,4-dihydroxyacryloyl-CoA}}
 
{{#set: common name=3,4-dihydroxyacryloyl-CoA}}
 
{{#set: consumed by=CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN}}
 
{{#set: consumed by=CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN}}
 
{{#set: produced by=RXN-1126}}
 
{{#set: produced by=RXN-1126}}

Latest revision as of 16:39, 9 January 2019

Metabolite CAFFEOYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • molecular weight:
    • 925.647
  • inchi key:
    • InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
  • common name:
    • trans-caffeoyl-CoA
  • Synonym(s):
    • 3,4-dihydroxyacryloyl-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(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.