Difference between revisions of "CPD-17045"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10600 CPD-10600] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17045 CPD-17045] == * smiles: ** C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2) * common name...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10600 CPD-10600] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17045 CPD-17045] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)
 
* common name:
 
* common name:
−
** 4-hydroxybenzoyl-acetyl-CoA
+
** 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-diketopiperazine
 
* inchi key:
 
* inchi key:
−
** InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J
+
** InChIKey=PXYPZMRMTKVYSM-VXGBXAGGSA-N
 
* molecular weight:
 
* molecular weight:
−
** 925.647    
+
** 266.253    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA
+
** 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-DKP
−
** 3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA
+
** 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)piperazine-2,5-dione
−
** 3-(4-hydroxyphenyl)-3-keto-propionyl-CoA
+
−
** 3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA
+
−
** p-hydroxybenzoyl-acetyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11246]]
+
* [[RXN-15680]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-11245]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200630 25200630]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659074 90659074]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
{{#set: smiles=C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)}}
−
{{#set: common name=4-hydroxybenzoyl-acetyl-CoA}}
+
{{#set: common name=3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-diketopiperazine}}
−
{{#set: inchi key=InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J}}
+
{{#set: inchi key=InChIKey=PXYPZMRMTKVYSM-VXGBXAGGSA-N}}
−
{{#set: molecular weight=925.647   }}
+
{{#set: molecular weight=266.253   }}
−
{{#set: common name=3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propionyl-CoA|3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA|p-hydroxybenzoyl-acetyl-CoA}}
+
{{#set: common name=3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-DKP|3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)piperazine-2,5-dione}}
−
{{#set: consumed by=RXN-11246}}
+
{{#set: consumed by=RXN-15680}}
−
{{#set: produced by=RXN-11245}}
+

Latest revision as of 19:26, 21 March 2018

Metabolite CPD-17045

  • smiles:
    • C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)
  • common name:
    • 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-diketopiperazine
  • inchi key:
    • InChIKey=PXYPZMRMTKVYSM-VXGBXAGGSA-N
  • molecular weight:
    • 266.253
  • Synonym(s):
    • 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6-dihydroxy-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/tisogem/index.php?title=CPD-17045&oldid=41634"