Difference between revisions of "Tiso gene 16519"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-1-PHENYLETHANOL S-1-PHENYLETHANOL] == * smiles: ** CC(O)C1(C=CC=CC=1) * inchi key: ** InChIKe...")
(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(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-1-PHENYLETHANOL S-1-PHENYLETHANOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] ==
 
* smiles:
 
* smiles:
−
** CC(O)C1(C=CC=CC=1)
+
** 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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N
+
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
 
* common name:
 
* common name:
−
** (S)-1-phenylethanol
+
** octanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 122.166    
+
** 889.7    
 
* Synonym(s):
 
* Synonym(s):
 +
** Octanoyl-CoA (n-C8:0CoA)
 +
** capryloyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12669]]
 +
* [[ACOA80or]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13617]]
 +
* [[R223-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-1302]]
+
* [[RXN-14229]]
 +
* [[ACACT4]]
 
== External links  ==
 
== External links  ==
 +
* BIGG : occoa
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443135 443135]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
−
* CHEMSPIDER:
+
* HMDB : HMDB01070
−
** [http://www.chemspider.com/Chemical-Structure.391409.html 391409]
+
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16346 16346]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C11348 C11348]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
−
{{#set: smiles=CC(O)C1(C=CC=CC=1)}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
−
{{#set: common name=(S)-1-phenylethanol}}
+
* METABOLIGHTS : MTBLC57386
−
{{#set: molecular weight=122.166   }}
+
{{#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: consumed or produced by=RXN-1302}}
+
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
 +
{{#set: common name=octanoyl-CoA}}
 +
{{#set: molecular weight=889.7   }}
 +
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
 +
{{#set: consumed by=RXN-12669|ACOA80or}}
 +
{{#set: produced by=RXN-13617|R223-RXN}}
 +
{{#set: reversible reaction associated=RXN-14229|ACACT4}}

Revision as of 19:00, 18 March 2018

Metabolite CPD-196

  • 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-]
  • inchi key:
    • InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
  • common name:
    • octanoyl-CoA
  • molecular weight:
    • 889.7
  • Synonym(s):
    • Octanoyl-CoA (n-C8:0CoA)
    • capryloyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : occoa
  • PUBCHEM:
  • HMDB : HMDB01070
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57386
"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-" cannot be used as a page name in this wiki.




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