Difference between revisions of "DEPHOSPHO-COA"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-674 CPD-674] == * smiles: ** C(=O)([O-])C=CC1(=CC=CC=C1) * inchi key: ** InChIKey=WBYWAXJHA...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEPHOSPHO-COA DEPHOSPHO-COA] == * smiles: ** CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-674 CPD-674] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEPHOSPHO-COA DEPHOSPHO-COA] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])C=CC1(=CC=CC=C1)
+
** CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)NCCC(=O)NCCS
 
* inchi key:
 
* inchi key:
** InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-M
+
** InChIKey=KDTSHFARGAKYJN-IBOSZNHHSA-L
 
* common name:
 
* common name:
** trans-cinnamate
+
** 3'-dephospho-CoA
 
* molecular weight:
 
* molecular weight:
** 147.153    
+
** 685.538    
 
* Synonym(s):
 
* Synonym(s):
** β-phenylacrylic acid
+
** 3-dephospho-CoA
** 3-phenyl-2-propenoic acid
+
** dephosphocoenzyme A
** cinnamic acid
+
** cinnamate
+
** trans-cinnamic acid
+
** (E)-cinnamate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11269]]
+
* [[DEPHOSPHOCOAKIN-RXN]]
* [[RXN-2001]]
+
* [[RXN-9336]]
+
* [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PHENYLALANINE-AMMONIA-LYASE-RXN]]
+
* [[PANTEPADENYLYLTRAN-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 140-10-3
+
* CAS : 3633-59-8
* METABOLIGHTS : MTBLC15669
+
* METABOLIGHTS : MTBLC57328
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5957728 5957728]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266562 45266562]
* HMDB : HMDB00930
+
* HMDB : HMDB01373
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00423 C00423]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00882 C00882]
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.4762929.html 4762929]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15669 15669]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57328 57328]
* BIGG : cinnm
+
* BIGG : dpcoa
{{#set: smiles=C(=O)([O-])C=CC1(=CC=CC=C1)}}
+
{{#set: smiles=CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)NCCC(=O)NCCS}}
{{#set: inchi key=InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-M}}
+
{{#set: inchi key=InChIKey=KDTSHFARGAKYJN-IBOSZNHHSA-L}}
{{#set: common name=trans-cinnamate}}
+
{{#set: common name=3'-dephospho-CoA}}
{{#set: molecular weight=147.153   }}
+
{{#set: molecular weight=685.538   }}
{{#set: common name=β-phenylacrylic acid|3-phenyl-2-propenoic acid|cinnamic acid|cinnamate|trans-cinnamic acid|(E)-cinnamate}}
+
{{#set: common name=3-dephospho-CoA|dephosphocoenzyme A}}
{{#set: consumed by=RXN-11269|RXN-2001|RXN-9336|TRANS-CINNAMATE-4-MONOOXYGENASE-RXN}}
+
{{#set: consumed by=DEPHOSPHOCOAKIN-RXN}}
{{#set: produced by=PHENYLALANINE-AMMONIA-LYASE-RXN}}
+
{{#set: produced by=PANTEPADENYLYLTRAN-RXN}}

Revision as of 16:03, 23 May 2018

Metabolite DEPHOSPHO-COA

  • smiles:
    • CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)NCCC(=O)NCCS
  • inchi key:
    • InChIKey=KDTSHFARGAKYJN-IBOSZNHHSA-L
  • common name:
    • 3'-dephospho-CoA
  • molecular weight:
    • 685.538
  • Synonym(s):
    • 3-dephospho-CoA
    • dephosphocoenzyme A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 3633-59-8
  • METABOLIGHTS : MTBLC57328
  • PUBCHEM:
  • HMDB : HMDB01373
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : dpcoa
"CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)NCCC(=O)NCCS" cannot be used as a page name in this wiki.