Difference between revisions of "3-KETO-ADIPYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] == * smiles: ** CC([O-])=O * inchi key: ** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M * co...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC([O-])=O
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)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-]
−
* inchi key:
+
−
** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** acetate
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** 3-oxoadipyl-CoA
 +
* inchi key:
 +
** InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
 
* molecular weight:
 
* molecular weight:
−
** 59.044    
+
** 904.605    
 
* Synonym(s):
 
* Synonym(s):
−
** acetic acid
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** 3-ketoadipyl-CoA
−
** ethanoic acid
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** 3-keto-adipyl-coa
 +
** β-ketoadipyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[ACETATE--COA-LIGASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[UDPACYLGLCNACDEACETYL-RXN]]
 
−
* [[ACHMSSELCYSL]]
 
−
* [[AODAA]]
 
−
* [[ACETYLCHOLINESTERASE-RXN]]
 
−
* [[3.1.1.47-RXN]]
 
−
* [[ALDDH]]
 
−
* [[RXN-13181]]
 
−
* [[ALDDHm]]
 
−
* [[APhi]]
 
−
* [[RXN-12726]]
 
−
* [[SIALATE-O-ACETYLESTERASE-RXN]]
 
−
* [[RXN0-3962]]
 
−
* [[RXN66-3]]
 
−
* [[RXN-13182]]
 
−
* [[ACHMSSELCYSLh]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13680]]
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* [[RXN0-2044]]
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* [[3.5.1.98-RXN]]
+
−
* [[RXN-13684]]
+
−
* [[SULFOCYS-RXN]]
+
−
* [[ACETYLORNDEACET-RXN]]
+
−
* [[ACETYLHOMOSER-CYS-RXN]]
+
−
* [[RXN-14728]]
+
−
* [[ACSERLY-RXN]]
+
−
* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
+
 
== External links  ==
 
== External links  ==
−
* CAS : 64-19-7
 
−
* CAS : 71-50-1
 
−
* METABOLIGHTS : MTBLC30089
 
−
* DRUGBANK : DB03166
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=175 175]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266578 45266578]
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* HMDB : HMDB00042
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* HMDB : HMDB60378
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* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00033 C00033]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.170.html 170]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30089 30089]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57348 57348]
−
* BIGG : ac
+
* LIGAND-CPD:
−
{{#set: smiles=CC([O-])=O}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02232 C02232]
−
{{#set: inchi key=InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)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-]}}
−
{{#set: common name=acetate}}
+
{{#set: common name=3-oxoadipyl-CoA}}
−
{{#set: molecular weight=59.044   }}
+
{{#set: inchi key=InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I}}
−
{{#set: common name=acetic acid|ethanoic acid}}
+
{{#set: molecular weight=904.605   }}
−
{{#set: consumed by=ACETATE--COA-LIGASE-RXN}}
+
{{#set: common name=3-ketoadipyl-CoA|3-keto-adipyl-coa|β-ketoadipyl-CoA}}
−
{{#set: produced by=UDPACYLGLCNACDEACETYL-RXN|ACHMSSELCYSL|AODAA|ACETYLCHOLINESTERASE-RXN|3.1.1.47-RXN|ALDDH|RXN-13181|ALDDHm|APhi|RXN-12726|SIALATE-O-ACETYLESTERASE-RXN|RXN0-3962|RXN66-3|RXN-13182|ACHMSSELCYSLh}}
+
{{#set: reversible reaction associated=RXN0-2044}}
−
{{#set: consumed or produced by=RXN-13680|3.5.1.98-RXN|RXN-13684|SULFOCYS-RXN|ACETYLORNDEACET-RXN|ACETYLHOMOSER-CYS-RXN|RXN-14728|ACSERLY-RXN|ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}
+

Latest revision as of 20:24, 21 March 2018

Metabolite 3-KETO-ADIPYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)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-]
  • common name:
    • 3-oxoadipyl-CoA
  • inchi key:
    • InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
  • molecular weight:
    • 904.605
  • Synonym(s):
    • 3-ketoadipyl-CoA
    • 3-keto-adipyl-coa
    • β-ketoadipyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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