Difference between revisions of "2-METHYL-ACETO-ACETYL-COA"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15122 RXN-15122] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-ACETO-ACETYL-COA 2-METHYL-ACETO-ACETYL-COA] == * smiles: ** CC(C(SCCNC(=O)CCNC(=O)C(O)...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15122 RXN-15122] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-ACETO-ACETYL-COA 2-METHYL-ACETO-ACETYL-COA] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CC(C(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-])=O)C(=O)C
 +
* inchi key:
 +
** InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J
 +
* common name:
 +
** 2-methylacetoacetyl-CoA
 +
* molecular weight:
 +
** 861.604   
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-methyl-3-acetoacetyl-CoA
 +
** 2-methylacetoacetyl coenzyme A
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[THR]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[CPD-15056]][c] '''+''' 1 [[WATER]][c]
+
== Reaction(s) of unknown directionality ==
−
* With common name(s):
+
* [[METHYLACETOACETYLCOATHIOL-RXN]]
−
** 1 L-threonine[c] '''=>''' 1 H+[c] '''+''' 1 (2Z)-2-aminobut-2-enoate[c] '''+''' 1 H2O[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[CHC_T00005128001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
* [[CHC_T00007475001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
== Pathways  ==
+
−
* [[ILEUSYN-PWY]], L-isoleucine biosynthesis I (from threonine): [http://metacyc.org/META/NEW-IMAGE?object=ILEUSYN-PWY ILEUSYN-PWY]
+
−
** '''5''' reactions found over '''7''' reactions in the full pathway
+
−
* [[PWY-5826]], hypoglycin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5826 PWY-5826]
+
−
** '''2''' reactions found over '''14''' reactions in the full pathway
+
−
* [[PWY-5437]], L-threonine degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5437 PWY-5437]
+
−
** '''1''' reactions found over '''6''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[orthology]]:
+
−
** [[pantograph]]:
+
−
*** [[galdieria.sulphuraria]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* CAS : 6712-01-2
−
{{#set: gene associated=CHC_T00005128001_1|CHC_T00007475001_1}}
+
* PUBCHEM:
−
{{#set: in pathway=ILEUSYN-PWY|PWY-5826|PWY-5437}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266568 45266568]
−
{{#set: reconstruction category=orthology}}
+
* HMDB : HMDB01157
−
{{#set: reconstruction tool=pantograph}}
+
* LIGAND-CPD:
−
{{#set: reconstruction source=galdieria.sulphuraria}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03344 C03344]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57335 57335]
 +
* METABOLIGHTS : MTBLC57335
 +
{{#set: smiles=CC(C(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-])=O)C(=O)C}}
 +
{{#set: inchi key=InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J}}
 +
{{#set: common name=2-methylacetoacetyl-CoA}}
 +
{{#set: molecular weight=861.604    }}
 +
{{#set: common name=2-methyl-3-acetoacetyl-CoA|2-methylacetoacetyl coenzyme A}}
 +
{{#set: reversible reaction associated=METHYLACETOACETYLCOATHIOL-RXN}}

Revision as of 16:18, 23 May 2018

Metabolite 2-METHYL-ACETO-ACETYL-COA

  • smiles:
    • CC(C(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-])=O)C(=O)C
  • inchi key:
    • InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J
  • common name:
    • 2-methylacetoacetyl-CoA
  • molecular weight:
    • 861.604
  • Synonym(s):
    • 2-methyl-3-acetoacetyl-CoA
    • 2-methylacetoacetyl coenzyme A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 6712-01-2
  • PUBCHEM:
  • HMDB : HMDB01157
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57335
"CC(C(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-])=O)C(=O)C" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=2-METHYL-ACETO-ACETYL-COA&oldid=16747"