Difference between revisions of "CAFFEOYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROXY-ACETONE-PHOSPHATE DIHYDROXY-ACETONE-PHOSPHATE] == * smiles: ** C(C(=O)CO)OP([O-])([O-...")
(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 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROXY-ACETONE-PHOSPHATE DIHYDROXY-ACETONE-PHOSPHATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CAFFEOYL-COA CAFFEOYL-COA] ==
 
* smiles:
 
* smiles:
** C(C(=O)CO)OP([O-])([O-])=O
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** 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-]
 
* inchi key:
 
* inchi key:
** InChIKey=GNGACRATGGDKBX-UHFFFAOYSA-L
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** InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
 
* common name:
 
* common name:
** glycerone phosphate
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** trans-caffeoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 168.043    
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** 925.647    
 
* Synonym(s):
 
* Synonym(s):
** DHAP
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** 3,4-dihydroxyacryloyl-CoA
** dihydroxyacetone phosphate
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** dihydroxyacetone-P
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** di-OH-acetone-P
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** dihydroxy-acetone phosphate
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** 3-hydroxy-2-oxopropyl phosphate
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15044]]
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* [[CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN]]
* [[RXN0-5257]]
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* [[QUINOLINATE-SYNTHE-MULTI-RXN]]
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* [[GLYC3PDEHYDROGBIOSYN-RXN]]
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* [[QUINOLINATE-SYNTHA-RXN]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[GLYCERONE-KINASE-RXN]]
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* [[RXN-1126]]
* [[RXN-15740]]
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* [[RXN0-5260]]
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* [[RXN-15745]]
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* [[RXN-8631]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[SEDOBISALDOL-RXN]]
 
* [[1.1.1.8-RXN]]
 
* [[TRIOSEPISOMERIZATION-RXN]]
 
* [[F16ALDOLASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 57-04-5
 
* METABOLIGHTS : MTBLC57642
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4643300 4643300]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266599 45266599]
* HMDB : HMDB01473
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00111 C00111]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.3833110.html 3833110]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57642 57642]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57372 57372]
* BIGG : 33898
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* LIGAND-CPD:
* BIGG : dhap
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** [http://www.genome.jp/dbget-bin/www_bget?C00323 C00323]
{{#set: smiles=C(C(=O)CO)OP([O-])([O-])=O}}
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{{#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: inchi key=InChIKey=GNGACRATGGDKBX-UHFFFAOYSA-L}}
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{{#set: inchi key=InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J}}
{{#set: common name=glycerone phosphate}}
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{{#set: common name=trans-caffeoyl-CoA}}
{{#set: molecular weight=168.043   }}
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{{#set: molecular weight=925.647   }}
{{#set: common name=DHAP|dihydroxyacetone phosphate|dihydroxyacetone-P|di-OH-acetone-P|dihydroxy-acetone phosphate|3-hydroxy-2-oxopropyl phosphate}}
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{{#set: common name=3,4-dihydroxyacryloyl-CoA}}
{{#set: consumed by=RXN-15044|RXN0-5257|QUINOLINATE-SYNTHE-MULTI-RXN|GLYC3PDEHYDROGBIOSYN-RXN|QUINOLINATE-SYNTHA-RXN}}
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{{#set: consumed by=CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN}}
{{#set: produced by=GLYCERONE-KINASE-RXN|RXN-15740|RXN0-5260|RXN-15745|RXN-8631}}
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{{#set: produced by=RXN-1126}}
{{#set: reversible reaction associated=SEDOBISALDOL-RXN|1.1.1.8-RXN|TRIOSEPISOMERIZATION-RXN|F16ALDOLASE-RXN}}
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Latest revision as of 20:28, 21 March 2018

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-]
  • inchi key:
    • InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
  • common name:
    • trans-caffeoyl-CoA
  • molecular weight:
    • 925.647
  • 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.