Difference between revisions of "3-KETO-ADIPATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18494 CPD-18494] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPATE 3-KETO-ADIPATE] == * smiles: ** C(=O)([O-])CC(=O)CCC(=O)[O-] * common name: ** 3...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18494 CPD-18494] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPATE 3-KETO-ADIPATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(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)([O-])CC(=O)CCC(=O)[O-]
 
* common name:
 
* common name:
−
** 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
+
** 3-oxoadipate
 
* inchi key:
 
* inchi key:
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** InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J
+
** InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
−
** 1118.034    
+
** 158.11    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA
+
** β-ketoadipate
 +
** 3-ketoadipate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17116]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-17115]]
+
* [[3-OXOADIPATE-ENOL-LACTONASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* UM-BBD-CPD : c0100
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193740 72193740]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459800 5459800]
 +
* HMDB : HMDB00398
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00846 C00846]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573571.html 4573571]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76367 76367]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15775 15775]
−
{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(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}}
+
{{#set: smiles=C(=O)([O-])CC(=O)CCC(=O)[O-]}}
−
{{#set: common name=3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA}}
+
{{#set: common name=3-oxoadipate}}
−
{{#set: inchi key=InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J}}
+
{{#set: inchi key=InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-L}}
−
{{#set: molecular weight=1118.034   }}
+
{{#set: molecular weight=158.11   }}
−
{{#set: common name=3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA}}
+
{{#set: common name=β-ketoadipate|3-ketoadipate}}
−
{{#set: consumed by=RXN-17116}}
+
{{#set: produced by=3-OXOADIPATE-ENOL-LACTONASE-RXN}}
−
{{#set: produced by=RXN-17115}}
+

Latest revision as of 21:14, 21 March 2018

Metabolite 3-KETO-ADIPATE

  • smiles:
    • C(=O)([O-])CC(=O)CCC(=O)[O-]
  • common name:
    • 3-oxoadipate
  • inchi key:
    • InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-L
  • molecular weight:
    • 158.11
  • Synonym(s):
    • β-ketoadipate
    • 3-ketoadipate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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