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=CPD-196 CPD-196] == * smiles: ** CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCC(=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-]
+
** CC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
+
** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** octanoyl-CoA
+
** acetate
 
* molecular weight:
 
* molecular weight:
−
** 889.7    
+
** 59.044    
 
* Synonym(s):
 
* Synonym(s):
−
** Octanoyl-CoA (n-C8:0CoA)
+
** acetic acid
−
** capryloyl-CoA
+
** ethanoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12669]]
+
* [[ACETATE--COA-LIGASE-RXN]]
−
* [[ACOA80or]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13617]]
+
* [[UDPACYLGLCNACDEACETYL-RXN]]
−
* [[R223-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-14229]]
+
* [[RXN-13680]]
−
* [[ACACT4]]
+
* [[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  ==
−
* BIGG : occoa
+
* CAS : 64-19-7
 +
* CAS : 71-50-1
 +
* METABOLIGHTS : MTBLC30089
 +
* DRUGBANK : DB03166
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=175 175]
−
* HMDB : HMDB01070
+
* HMDB : HMDB00042
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
+
** [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=57386 57386]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30089 30089]
−
* METABOLIGHTS : MTBLC57386
+
* BIGG : ac
−
{{#set: smiles=CCCCCCCC(=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-]}}
+
{{#set: smiles=CC([O-])=O}}
−
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
+
{{#set: inchi key=InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M}}
−
{{#set: common name=octanoyl-CoA}}
+
{{#set: common name=acetate}}
−
{{#set: molecular weight=889.7   }}
+
{{#set: molecular weight=59.044   }}
−
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
+
{{#set: common name=acetic acid|ethanoic acid}}
−
{{#set: consumed by=RXN-12669|ACOA80or}}
+
{{#set: consumed by=ACETATE--COA-LIGASE-RXN}}
−
{{#set: produced by=RXN-13617|R223-RXN}}
+
{{#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: consumed or produced by=RXN-14229|ACACT4}}
+
{{#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.}}

Revision as of 17:37, 10 January 2018

Metabolite ACET

  • smiles:
    • CC([O-])=O
  • inchi key:
    • InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
  • common name:
    • acetate
  • molecular weight:
    • 59.044
  • Synonym(s):
    • acetic acid
    • ethanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 64-19-7
  • CAS : 71-50-1
  • METABOLIGHTS : MTBLC30089
  • DRUGBANK : DB03166
  • PUBCHEM:
  • HMDB : HMDB00042
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : ac
"CC([O-])=O" cannot be used as a page name in this wiki.




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