Difference between revisions of "1-KETO-2-METHYLVALERATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17346 CPD-17346] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] == * smiles: ** CCC(O)(C)C(C([O-])=O)O * commo...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17346 CPD-17346] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCCCCCCCC(=O)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-]
+
** CCC(O)(C)C(C([O-])=O)O
−
* inchi key:
+
−
** InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J
+
 
* common name:
 
* common name:
−
** 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA
+
** (R)-2,3-dihydroxy-3-methylpentanoate
 +
* inchi key:
 +
** InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M
 
* molecular weight:
 
* molecular weight:
−
** 1067.974    
+
** 147.15    
 
* Synonym(s):
 
* Synonym(s):
 +
** (R)-2,3-dihydroxy-3-methylvalerate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16095]]
+
* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
 +
* [[DHAD]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16094]]
+
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 +
* [[R05068]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581045 71581045]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145376 21145376]
 +
* HMDB : HMDB12140
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C06007 C06007]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.13641636.html 13641636]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74012 74012]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49258 49258]
−
{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(=O)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-]}}
+
* BIGG : 23dhmp
−
{{#set: inchi key=InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J}}
+
{{#set: smiles=CCC(O)(C)C(C([O-])=O)O}}
−
{{#set: common name=3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA}}
+
{{#set: common name=(R)-2,3-dihydroxy-3-methylpentanoate}}
−
{{#set: molecular weight=1067.974    }}
+
{{#set: inchi key=InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M}}
−
{{#set: consumed by=RXN-16095}}
+
{{#set: molecular weight=147.15    }}
−
{{#set: produced by=RXN-16094}}
+
{{#set: common name=(R)-2,3-dihydroxy-3-methylvalerate}}
 +
{{#set: consumed by=DIHYDROXYMETVALDEHYDRAT-RXN|DHAD}}
 +
{{#set: produced by=ACETOOHBUTREDUCTOISOM-RXN|R05068}}

Latest revision as of 21:15, 21 March 2018

Metabolite 1-KETO-2-METHYLVALERATE

  • smiles:
    • CCC(O)(C)C(C([O-])=O)O
  • common name:
    • (R)-2,3-dihydroxy-3-methylpentanoate
  • inchi key:
    • InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M
  • molecular weight:
    • 147.15
  • Synonym(s):
    • (R)-2,3-dihydroxy-3-methylvalerate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC(O)(C)C(C([O-])=O)O" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=1-KETO-2-METHYLVALERATE&oldid=47191"