Difference between revisions of "CPD0-2108"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14282 CPD-14282] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2108 CPD0-2108] == * smiles: ** CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-]...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14282 CPD-14282] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2108 CPD0-2108] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
 
* common name:
 
* common name:
** trans-lignocer-2-enoyl-CoA
+
** trans-oct-2-enoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=UVJKZCSQLMWPMV-LQJAWXTISA-J
+
** InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J
 
* molecular weight:
 
* molecular weight:
** 1112.113    
+
** 887.685    
 
* Synonym(s):
 
* Synonym(s):
** trans-2,3-dihydro-lignocerenoyl-CoA
+
** (2E)-octenoyl-CoA
** (2E)-lignocerenoyl-CoA
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** trans-2-octenoyl-coenzyme A
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13308]]
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* [[RXN-14276]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13304]]
+
* [[RXN-12669]]
 +
* [[ACOA80or]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14229]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
+
* LIGAND-CPD:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71627272 71627272]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05276 C05276]
 +
* HMDB : HMDB03949
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74693 74693]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62242 62242]
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
* BIGG : oc2coa
{{#set: common name=trans-lignocer-2-enoyl-CoA}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=UVJKZCSQLMWPMV-LQJAWXTISA-J}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173358 46173358]
{{#set: molecular weight=1112.113   }}
+
{{#set: smiles=CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
{{#set: common name=trans-2,3-dihydro-lignocerenoyl-CoA|(2E)-lignocerenoyl-CoA}}
+
{{#set: common name=trans-oct-2-enoyl-CoA}}
{{#set: consumed by=RXN-13308}}
+
{{#set: inchi key=InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J}}
{{#set: produced by=RXN-13304}}
+
{{#set: molecular weight=887.685   }}
 +
{{#set: common name=(2E)-octenoyl-CoA|trans-2-octenoyl-coenzyme A}}
 +
{{#set: consumed by=RXN-14276}}
 +
{{#set: produced by=RXN-12669|ACOA80or}}
 +
{{#set: reversible reaction associated=RXN-14229}}

Latest revision as of 19:51, 21 March 2018

Metabolite CPD0-2108

  • smiles:
    • CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
  • common name:
    • trans-oct-2-enoyl-CoA
  • inchi key:
    • InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J
  • molecular weight:
    • 887.685
  • Synonym(s):
    • (2E)-octenoyl-CoA
    • trans-2-octenoyl-coenzyme A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.