Difference between revisions of "RXN0-6525"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17895 RXN-17895] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula == * With ide...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17895 RXN-17895] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(=CC(=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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* inchi key:
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** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
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* common name:
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** 3-methylcrotonyl-CoA
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* molecular weight:
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** 845.604   
 
* Synonym(s):
 
* Synonym(s):
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** β-methylcrotonoyl-CoA
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** 3-methylbut-2-enoyl-CoA
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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== Reaction(s) known to produce the compound ==
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** 1 [[CPD-18773]][c] '''<=>''' 1 [[CPD-19220]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[RXN-14264]]
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** 1 (R)-demethyl-4-deoxygadusol[c] '''<=>''' 1 (S)-demethyl-4-deoxygadusol[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-7751]], shinorine biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7751 PWY-7751]
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** '''6''' reactions found over '''8''' reactions in the full pathway
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== Reconstruction information  ==
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* [[gap-filling]]:
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** [[meneco]]:
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*** [[added for gapfilling]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* LIGAND-CPD:
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{{#set: in pathway=PWY-7751}}
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** [http://www.genome.jp/dbget-bin/www_bget?C03069 C03069]
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{{#set: reconstruction category=gap-filling}}
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* CHEBI:
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{{#set: reconstruction tool=meneco}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57344 57344]
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{{#set: reconstruction source=added for gapfilling}}
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* METABOLIGHTS : MTBLC57344
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* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575]
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* HMDB : HMDB01493
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{{#set: smiles=CC(=CC(=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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{{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}}
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{{#set: common name=3-methylcrotonyl-CoA}}
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{{#set: molecular weight=845.604    }}
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{{#set: common name=&beta;-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}}
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{{#set: consumed or produced by=RXN-14264}}

Revision as of 12:29, 18 January 2018

Metabolite 3-METHYL-CROTONYL-COA

  • smiles:
    • CC(=CC(=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
  • inchi key:
    • InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
  • common name:
    • 3-methylcrotonyl-CoA
  • molecular weight:
    • 845.604
  • Synonym(s):
    • β-methylcrotonoyl-CoA
    • 3-methylbut-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57344
  • PUBCHEM:
  • HMDB : HMDB01493
"CC(=CC(=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" cannot be used as a page name in this wiki.



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