Difference between revisions of "2K-ADIPATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-771 CPD1G-771] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-ADIPATE 2K-ADIPATE] == * smiles: ** C(CC(=O)C(=O)[O-])CC(=O)[O-] * common name: ** 2-oxoadip...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-771 CPD1G-771] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-ADIPATE 2K-ADIPATE] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)
+
** C(CC(=O)C(=O)[O-])CC(=O)[O-]
 
* common name:
 
* common name:
** 6-O-cis-methoxy-mycolyl-trehalose 6-phosphate
+
** 2-oxoadipate
 
* inchi key:
 
* inchi key:
** InChIKey=NYSGJFYKJQFMRN-ZVNWTMLTSA-L
+
** InChIKey=FGSBNBBHOZHUBO-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
** 1656.508    
+
** 158.11    
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-ketoadipate
 +
** α-ketoadipate
 +
** 2-keto-adipate
 +
** 2-oxohexanedionic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN1G-1436]]
+
* [[2-KETO-ADIPATE-DEHYDROG-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2-AMINOADIPATE-AMINOTRANSFERASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 3184-35-8
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657776 90657776]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615192 23615192]
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)}}
+
* HMDB : HMDB00225
{{#set: common name=6-O-cis-methoxy-mycolyl-trehalose 6-phosphate}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=NYSGJFYKJQFMRN-ZVNWTMLTSA-L}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00322 C00322]
{{#set: molecular weight=1656.508   }}
+
* CHEMSPIDER:
{{#set: consumed by=RXN1G-1436}}
+
** [http://www.chemspider.com/Chemical-Structure.19951093.html 19951093]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57499 57499]
 +
* METABOLIGHTS : MTBLC57499
 +
{{#set: smiles=C(CC(=O)C(=O)[O-])CC(=O)[O-]}}
 +
{{#set: common name=2-oxoadipate}}
 +
{{#set: inchi key=InChIKey=FGSBNBBHOZHUBO-UHFFFAOYSA-L}}
 +
{{#set: molecular weight=158.11   }}
 +
{{#set: common name=2-ketoadipate|α-ketoadipate|2-keto-adipate|2-oxohexanedionic acid}}
 +
{{#set: consumed by=2-KETO-ADIPATE-DEHYDROG-RXN}}
 +
{{#set: reversible reaction associated=2-AMINOADIPATE-AMINOTRANSFERASE-RXN}}

Latest revision as of 20:12, 21 March 2018

Metabolite 2K-ADIPATE

  • smiles:
    • C(CC(=O)C(=O)[O-])CC(=O)[O-]
  • common name:
    • 2-oxoadipate
  • inchi key:
    • InChIKey=FGSBNBBHOZHUBO-UHFFFAOYSA-L
  • molecular weight:
    • 158.11
  • Synonym(s):
    • 2-ketoadipate
    • α-ketoadipate
    • 2-keto-adipate
    • 2-oxohexanedionic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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