Difference between revisions of "RXN-14284"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IDP IDP] == * smiles: ** C(OP(=O)([O-])OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)...")
(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=IDP IDP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2108 CPD0-2108] ==
 
* smiles:
 
* smiles:
** C(OP(=O)([O-])OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))
+
** 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
* inchi key:
+
** InChIKey=JPXZQMKKFWMMGK-KQYNXXCUSA-K
+
 
* common name:
 
* common name:
** IDP
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** trans-oct-2-enoyl-CoA
 +
* inchi key:
 +
** InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J
 
* molecular weight:
 
* molecular weight:
** 425.165    
+
** 887.685    
 
* Synonym(s):
 
* Synonym(s):
** riboxin
+
** (2E)-octenoyl-CoA
** inosine diphosphate
+
** trans-2-octenoyl-coenzyme A
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ATIDm]]
+
* [[RXN-14276]]
* [[RXN-14003]]
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* [[ATID]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN0-5073]]
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* [[RXN-12669]]
* [[ITUP]]
+
* [[ACOA80or]]
* [[ITCY]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14120]]
+
* [[RXN-14229]]
 
== External links  ==
 
== External links  ==
* CAS : 86-04-4
 
* METABOLIGHTS : MTBLC58280
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7156952 7156952]
 
* HMDB : HMDB03335
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00104 C00104]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05276 C05276]
* CHEMSPIDER:
+
* HMDB : HMDB03949
** [http://www.chemspider.com/Chemical-Structure.3279691.html 3279691]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58280 58280]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62242 62242]
* BIGG : idp
+
* BIGG : oc2coa
{{#set: smiles=C(OP(=O)([O-])OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=JPXZQMKKFWMMGK-KQYNXXCUSA-K}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173358 46173358]
{{#set: common name=IDP}}
+
{{#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: molecular weight=425.165   }}
+
{{#set: common name=trans-oct-2-enoyl-CoA}}
{{#set: common name=riboxin|inosine diphosphate}}
+
{{#set: inchi key=InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J}}
{{#set: consumed by=ATIDm|RXN-14003|ATID}}
+
{{#set: molecular weight=887.685   }}
{{#set: produced by=RXN0-5073|ITUP|ITCY}}
+
{{#set: common name=(2E)-octenoyl-CoA|trans-2-octenoyl-coenzyme A}}
{{#set: reversible reaction associated=RXN-14120}}
+
{{#set: consumed by=RXN-14276}}
 +
{{#set: produced by=RXN-12669|ACOA80or}}
 +
{{#set: reversible reaction associated=RXN-14229}}

Revision as of 16:33, 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.