Difference between revisions of "CPD-13937"

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(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...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13937 CPD-13937] ==
 
* smiles:
 
* 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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** CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)
 +
* molecular weight:
 +
** 2207.966   
 
* inchi key:
 
* inchi key:
** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
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** InChIKey=WQOBEIJLPIXUTJ-RTIPJVFBSA-N
 
* common name:
 
* common name:
** 3-methylcrotonyl-CoA
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** Glc2Man9GlcNAc2
* molecular weight:
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** 845.604   
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* Synonym(s):
 
* Synonym(s):
** β-methylcrotonoyl-CoA
 
** 3-methylbut-2-enoyl-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 ==
 +
* [[3.2.1.106-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14264]]
 
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C03069 C03069]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57344 57344]
 
* METABOLIGHTS : MTBLC57344
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657567 90657567]
* HMDB : HMDB01493
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{{#set: smiles=CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)}}
{{#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: molecular weight=2207.966    }}
{{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}}
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{{#set: inchi key=InChIKey=WQOBEIJLPIXUTJ-RTIPJVFBSA-N}}
{{#set: common name=3-methylcrotonyl-CoA}}
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{{#set: common name=Glc2Man9GlcNAc2}}
{{#set: molecular weight=845.604    }}
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{{#set: produced by=3.2.1.106-RXN}}
{{#set: common name=β-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}}
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{{#set: consumed or produced by=RXN-14264}}
+

Latest revision as of 17:55, 9 January 2019

Metabolite CPD-13937

  • smiles:
    • CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)
  • molecular weight:
    • 2207.966
  • inchi key:
    • InChIKey=WQOBEIJLPIXUTJ-RTIPJVFBSA-N
  • common name:
    • Glc2Man9GlcNAc2
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)" cannot be used as a page name in this wiki.