Difference between revisions of "CPD-17049"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17312 CPD-17312] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17049 CPD-17049] == * smiles: ** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2) * inchi key:...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17312 CPD-17312] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17049 CPD-17049] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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-]
+
** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
 
* inchi key:
 
* inchi key:
−
** InChIKey=MENFZXMQSYYVRK-CRCGJGBYSA-J
+
** InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
 
* common name:
 
* common name:
−
** docosahexaenoyl-CoA
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
 
* molecular weight:
 
* molecular weight:
−
** 1073.981    
+
** 298.374    
 
* Synonym(s):
 
* Synonym(s):
−
** all-cis-docosa-4,7,10,13,16,19-hexaenoyl-CoA
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
−
** (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
−
** (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
+
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-15684]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16137]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-16103]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581248 71581248]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658023 90658023]
−
* CHEBI:
+
{{#set: smiles=C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74298 74298]
+
{{#set: inchi key=InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N}}
−
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine}}
−
{{#set: inchi key=InChIKey=MENFZXMQSYYVRK-CRCGJGBYSA-J}}
+
{{#set: molecular weight=298.374   }}
−
{{#set: common name=docosahexaenoyl-CoA}}
+
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP|3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione}}
−
{{#set: molecular weight=1073.981   }}
+
{{#set: consumed by=RXN-15684}}
−
{{#set: common name=all-cis-docosa-4,7,10,13,16,19-hexaenoyl-CoA|(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA|(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA}}
+
−
{{#set: produced by=RXN-16137}}
+
−
{{#set: reversible reaction associated=RXN-16103}}
+

Latest revision as of 19:38, 21 March 2018

Metabolite CPD-17049

  • smiles:
    • C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
  • inchi key:
    • InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
  • common name:
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
  • molecular weight:
    • 298.374
  • Synonym(s):
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-17049&oldid=28366"