Difference between revisions of "CPD-4441"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-ISOVALERYL-COA 3-HYDROXY-ISOVALERYL-COA] == * smiles: ** CC(COP(=O)([O-])OP(=O)([O-])...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COBALT-SIROHYDROCHLORIN COBALT-SIROHYDROCHLORIN] == * smiles: ** CC1(CC(=O)[O-])(C2(=CC5(C(CCC(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-ISOVALERYL-COA 3-HYDROXY-ISOVALERYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COBALT-SIROHYDROCHLORIN COBALT-SIROHYDROCHLORIN] ==
 
* smiles:
 
* smiles:
** CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O
+
** CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))
 
* inchi key:
 
* inchi key:
** InChIKey=PEVZKILCBDEOBT-UHFFFAOYSA-J
+
** InChIKey=XZMXJYDTAININL-QIISWYHFSA-D
 
* common name:
 
* common name:
** 3-hydroxyisovaleryl-CoA
+
** cobalt-sirohydrochlorin
 
* molecular weight:
 
* molecular weight:
** 863.619    
+
** 911.694    
 
* Synonym(s):
 
* Synonym(s):
** 3-hydroxy-isovaleryl-coa
+
** cobalt-factor II
** 3-hydroxy-iso-valeryl-CoA
+
  
 
== 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 ==
 +
* [[4.99.1.3-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14266]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203667 25203667]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70678581 70678581]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62555 62555]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60049 60049]
{{#set: smiles=CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=PEVZKILCBDEOBT-UHFFFAOYSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11538 C11538]
{{#set: common name=3-hydroxyisovaleryl-CoA}}
+
{{#set: smiles=CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))}}
{{#set: molecular weight=863.619   }}
+
{{#set: inchi key=InChIKey=XZMXJYDTAININL-QIISWYHFSA-D}}
{{#set: common name=3-hydroxy-isovaleryl-coa|3-hydroxy-iso-valeryl-CoA}}
+
{{#set: common name=cobalt-sirohydrochlorin}}
{{#set: reversible reaction associated=RXN-14266}}
+
{{#set: molecular weight=911.694   }}
 +
{{#set: common name=cobalt-factor II}}
 +
{{#set: produced by=4.99.1.3-RXN}}

Revision as of 13:58, 21 March 2018

Metabolite COBALT-SIROHYDROCHLORIN

  • smiles:
    • CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))
  • inchi key:
    • InChIKey=XZMXJYDTAININL-QIISWYHFSA-D
  • common name:
    • cobalt-sirohydrochlorin
  • molecular weight:
    • 911.694
  • Synonym(s):
    • cobalt-factor II

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))" cannot be used as a page name in this wiki.