Difference between revisions of "RXN-14273"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11524 CPD-11524] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] == * smiles: ** CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11524 CPD-11524] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] ==
 
* smiles:
 
* smiles:
** CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)
+
** CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))
 
* inchi key:
 
* inchi key:
** InChIKey=ADGIRVMSHGGGHU-JYNUABGASA-J
+
** InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
 
* common name:
 
* common name:
** OPC6-3-ketoacyl-CoA
+
** adenosyl-cobyrinate a,c-diamide
 
* molecular weight:
 
* molecular weight:
** 1025.85    
+
** 1182.137    
 
* Synonym(s):
 
* Synonym(s):
 +
** adenosyl-cobyrinic acid a,c-diamide
 +
** Adenosyl cobyrinate diamide
 +
** Adenosylcob(III)yrinic acid a,c-diamide
 +
** Adenosylcobyrinic acid a,c-diamide
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10702]]
+
* [[R344-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237277 44237277]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819815 91819815]
{{#set: smiles=CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)}}
+
* CHEBI:
{{#set: inchi key=InChIKey=ADGIRVMSHGGGHU-JYNUABGASA-J}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58503 58503]
{{#set: common name=OPC6-3-ketoacyl-CoA}}
+
* LIGAND-CPD:
{{#set: molecular weight=1025.85   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06506 C06506]
{{#set: produced by=RXN-10702}}
+
* HMDB : HMDB01083
 +
{{#set: smiles=CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))}}
 +
{{#set: inchi key=InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H}}
 +
{{#set: common name=adenosyl-cobyrinate a,c-diamide}}
 +
{{#set: molecular weight=1182.137   }}
 +
{{#set: common name=adenosyl-cobyrinic acid a,c-diamide|Adenosyl cobyrinate diamide|Adenosylcob(III)yrinic acid a,c-diamide|Adenosylcobyrinic acid a,c-diamide}}
 +
{{#set: produced by=R344-RXN}}

Revision as of 20:53, 17 March 2018

Metabolite CPD-690

  • smiles:
    • CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))
  • inchi key:
    • InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
  • common name:
    • adenosyl-cobyrinate a,c-diamide
  • molecular weight:
    • 1182.137
  • Synonym(s):
    • adenosyl-cobyrinic acid a,c-diamide
    • Adenosyl cobyrinate diamide
    • Adenosylcob(III)yrinic acid a,c-diamide
    • Adenosylcobyrinic acid a,c-diamide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))" cannot be used as a page name in this wiki.