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=CADAVERINE CADAVERINE] == * smiles: ** C([N+])CCCC[N+] * inchi key: ** InChIKey=VHRGRCVQAFMJIZ-...")
 
 
(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=CADAVERINE CADAVERINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] ==
 
* smiles:
 
* smiles:
−
** C([N+])CCCC[N+]
+
** CCC(O)(C)C(C([O-])=O)O
 +
* molecular weight:
 +
** 147.15   
 
* inchi key:
 
* inchi key:
−
** InChIKey=VHRGRCVQAFMJIZ-UHFFFAOYSA-P
+
** InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M
 
* common name:
 
* common name:
−
** cadaverine
+
** (R)-2,3-dihydroxy-3-methylpentanoate
−
* molecular weight:
+
−
** 104.195   
+
 
* Synonym(s):
 
* Synonym(s):
−
** diaminopentane
+
** (R)-2,3-dihydroxy-3-methylvalerate
−
** 1,5-Diaminopentane
+
−
** 1,5-pentanediamine
+
−
** pentamethylenediamine
+
−
** BioDex 1-
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN0-5217]]
+
* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[LYSDECARBOX-RXN]]
+
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 462-94-2
+
* BIGG : 23dhmp
−
* PUBCHEM:
+
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3718401 3718401]
+
−
* HMDB : HMDB02322
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01672 C01672]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06007 C06007]
 +
* HMDB : HMDB12140
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.2949420.html 2949420]
+
** [http://www.chemspider.com/Chemical-Structure.13641636.html 13641636]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58384 58384]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49258 49258]
−
* BIGG : 15dap
+
* PUBCHEM:
−
{{#set: smiles=C([N+])CCCC[N+]}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145376 21145376]
−
{{#set: inchi key=InChIKey=VHRGRCVQAFMJIZ-UHFFFAOYSA-P}}
+
{{#set: smiles=CCC(O)(C)C(C([O-])=O)O}}
−
{{#set: common name=cadaverine}}
+
{{#set: molecular weight=147.15    }}
−
{{#set: molecular weight=104.195    }}
+
{{#set: inchi key=InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M}}
−
{{#set: common name=diaminopentane|1,5-Diaminopentane|1,5-pentanediamine|pentamethylenediamine|BioDex 1-}}
+
{{#set: common name=(R)-2,3-dihydroxy-3-methylpentanoate}}
−
{{#set: consumed by=RXN0-5217}}
+
{{#set: common name=(R)-2,3-dihydroxy-3-methylvalerate}}
−
{{#set: produced by=LYSDECARBOX-RXN}}
+
{{#set: consumed by=DIHYDROXYMETVALDEHYDRAT-RXN}}
 +
{{#set: produced by=ACETOOHBUTREDUCTOISOM-RXN}}

Latest revision as of 17:57, 9 January 2019

Metabolite 1-KETO-2-METHYLVALERATE

  • smiles:
    • CCC(O)(C)C(C([O-])=O)O
  • molecular weight:
    • 147.15
  • inchi key:
    • InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M
  • common name:
    • (R)-2,3-dihydroxy-3-methylpentanoate
  • 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/ccrgem/index.php?title=1-KETO-2-METHYLVALERATE&oldid=23718"