Difference between revisions of "CPD-9965"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17046 CPD-17046] == * smiles: ** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9965 CPD-9965] == * smiles: ** CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17046 CPD-17046] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9965 CPD-9965] ==
 
* smiles:
 
* smiles:
** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)NC(=O)2))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O
+
** CCCCCCCCCCCCCCCCCCCC(=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=YJISLDWVIYDIOE-WGTGPSAHSA-L
+
** InChIKey=JYLSVNBJLYCSSW-IBYUJNRCSA-J
 
* common name:
 
* common name:
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
+
** icosanoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 842.848    
+
** 1058.022    
 
* Synonym(s):
 
* Synonym(s):
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP
+
** eicosanoyl-CoA
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione
+
** arachidoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15681]]
+
* [[RXN-13295]]
 +
* [[RXN-9629]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15680]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN1G-460]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657797 90657797]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203411 25203411]
{{#set: smiles=C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)NC(=O)2))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O}}
+
* CHEBI:
{{#set: inchi key=InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57380 57380]
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
+
* LIGAND-CPD:
{{#set: molecular weight=842.848   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02041 C02041]
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione}}
+
* HMDB : HMDB04258
{{#set: consumed by=RXN-15681}}
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCC(=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: produced by=RXN-15680}}
+
{{#set: inchi key=InChIKey=JYLSVNBJLYCSSW-IBYUJNRCSA-J}}
 +
{{#set: common name=icosanoyl-CoA}}
 +
{{#set: molecular weight=1058.022   }}
 +
{{#set: common name=eicosanoyl-CoA|arachidoyl-CoA}}
 +
{{#set: consumed by=RXN-13295|RXN-9629}}
 +
{{#set: reversible reaction associated=RXN1G-460}}

Latest revision as of 19:55, 21 March 2018

Metabolite CPD-9965

  • smiles:
    • CCCCCCCCCCCCCCCCCCCC(=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=JYLSVNBJLYCSSW-IBYUJNRCSA-J
  • common name:
    • icosanoyl-CoA
  • molecular weight:
    • 1058.022
  • Synonym(s):
    • eicosanoyl-CoA
    • arachidoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCCCCCC(=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.