Difference between revisions of "FGAMSYN-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTYRYL-COA ISOBUTYRYL-COA] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9038 CPD-9038] == * smiles: ** CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTYRYL-COA ISOBUTYRYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9038 CPD-9038] ==
 
* smiles:
 
* smiles:
** CC(C(=O)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-])C
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** CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
 
* inchi key:
 
* inchi key:
** InChIKey=AEWHYWSPVRZHCT-NDZSKPAWSA-J
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** InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F
 
* common name:
 
* common name:
** isobutanoyl-CoA
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** precorrin-1
 
* molecular weight:
 
* molecular weight:
** 833.593    
+
** 842.768    
 
* Synonym(s):
 
* Synonym(s):
** 2-methylpropanoyl-CoA
 
** isobutyryl-coenzyme A
 
** 2-methylpropionyl-CoA
 
** S-(2-methylpropanoyl)-CoA
 
** isobutyryl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8675]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.2.1.25-RXN]]
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* [[UROPORIIIMETHYLTRANSA-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[2.3.1.168-RXN]]
 
* [[ISOBUTYRYL-COA-MUTASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 15621-60-0
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266570 45266570]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245954 25245954]
* HMDB : HMDB01243
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00630 C00630]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57338 57338]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58893 58893]
* METABOLIGHTS : MTBLC57338
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* LIGAND-CPD:
{{#set: smiles=CC(C(=O)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-])C}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C15527 C15527]
{{#set: inchi key=InChIKey=AEWHYWSPVRZHCT-NDZSKPAWSA-J}}
+
{{#set: smiles=CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)}}
{{#set: common name=isobutanoyl-CoA}}
+
{{#set: inchi key=InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F}}
{{#set: molecular weight=833.593   }}
+
{{#set: common name=precorrin-1}}
{{#set: common name=2-methylpropanoyl-CoA|isobutyryl-coenzyme A|2-methylpropionyl-CoA|S-(2-methylpropanoyl)-CoA|isobutyryl-CoA}}
+
{{#set: molecular weight=842.768   }}
{{#set: produced by=1.2.1.25-RXN}}
+
{{#set: consumed by=RXN-8675}}
{{#set: consumed or produced by=2.3.1.168-RXN|ISOBUTYRYL-COA-MUTASE-RXN}}
+
{{#set: produced by=UROPORIIIMETHYLTRANSA-RXN}}

Revision as of 10:52, 18 January 2018

Metabolite CPD-9038

  • smiles:
    • CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
  • inchi key:
    • InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F
  • common name:
    • precorrin-1
  • molecular weight:
    • 842.768
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)" cannot be used as a page name in this wiki.