Difference between revisions of "RXN-6321"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYLCOBALAMIN-5-P ADENOSYLCOBALAMIN-5-P] == * smiles: ** CC%15(C=C%13(C(N%12(C%14(OC(COP([O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1083 CPD-1083] == * smiles: ** CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYLCOBALAMIN-5-P ADENOSYLCOBALAMIN-5-P] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1083 CPD-1083] ==
 
* smiles:
 
* smiles:
−
** CC%15(C=C%13(C(N%12(C%14(OC(COP([O-])(=O)[O-])C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C8(C(CC(=O)N)(C(CCC(N)=O)C7(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))
+
** CC=C(C)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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=ZKESCEDFYCGFMC-OUCXYWSSSA-J
+
** InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J
 
* common name:
 
* common name:
−
** adenosylcobalamin 5'-phosphate
+
** (E)-2-methylcrotonoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 1657.56    
+
** 845.604    
 
* Synonym(s):
 
* Synonym(s):
 +
** methylcrotonyl-CoA
 +
** trans-2-methylbut-2-enoyl-CoA
 +
** 2-methylbut-2-enoyl-CoA
 +
** tigloyl-CoA
 +
** tiglyl-CoA
 +
** 2-methyl-crotonyl-CoA
 +
** (E)-2-methylbut-2-enoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-8770]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[MCDH_2mb2coa]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[TIGLYLCOA-HYDROXY-RXN]]
 +
* [[RXN-14266]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 6247-62-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70678603 70678603]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266534 45266534]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60493 60493]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15478 15478]
−
{{#set: smiles=CC%15(C=C%13(C(N%12(C%14(OC(COP([O-])(=O)[O-])C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C8(C(CC(=O)N)(C(CCC(N)=O)C7(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=ZKESCEDFYCGFMC-OUCXYWSSSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03345 C03345]
−
{{#set: common name=adenosylcobalamin 5'-phosphate}}
+
* HMDB : HMDB02054
−
{{#set: molecular weight=1657.56   }}
+
{{#set: smiles=CC=C(C)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-]}}
−
{{#set: consumed by=RXN-8770}}
+
{{#set: inchi key=InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J}}
 +
{{#set: common name=(E)-2-methylcrotonoyl-CoA}}
 +
{{#set: molecular weight=845.604   }}
 +
{{#set: common name=methylcrotonyl-CoA|trans-2-methylbut-2-enoyl-CoA|2-methylbut-2-enoyl-CoA|tigloyl-CoA|tiglyl-CoA|2-methyl-crotonyl-CoA|(E)-2-methylbut-2-enoyl-CoA}}
 +
{{#set: produced by=MCDH_2mb2coa}}
 +
{{#set: consumed or produced by=TIGLYLCOA-HYDROXY-RXN|RXN-14266}}

Revision as of 17:12, 10 January 2018

Metabolite CPD-1083

  • smiles:
    • CC=C(C)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-]
  • inchi key:
    • InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J
  • common name:
    • (E)-2-methylcrotonoyl-CoA
  • molecular weight:
    • 845.604
  • Synonym(s):
    • methylcrotonyl-CoA
    • trans-2-methylbut-2-enoyl-CoA
    • 2-methylbut-2-enoyl-CoA
    • tigloyl-CoA
    • tiglyl-CoA
    • 2-methyl-crotonyl-CoA
    • (E)-2-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

"CC=C(C)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-" cannot be used as a page name in this wiki.




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