Difference between revisions of "CPD-17049"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DGTP DGTP] == * smiles: ** C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(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:...")
 
(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=DGTP DGTP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17049 CPD-17049] ==
 
* smiles:
 
* smiles:
−
** C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))
+
** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
 
* inchi key:
 
* inchi key:
−
** InChIKey=HAAZLUGHYHWQIW-KVQBGUIXSA-J
+
** InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
 
* common name:
 
* common name:
−
** dGTP
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
 
* molecular weight:
 
* molecular weight:
−
** 503.152    
+
** 298.374    
 
* Synonym(s):
 
* Synonym(s):
−
** 2'-deoxyguanosine-5'-triphosphate
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
−
** deoxy-GTP
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
−
** deoxyguanosine-triphosphate
+
** 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-14217]]
+
* [[RXN-15684]]
−
* [[RXN-14208]]
+
−
* [[RXN0-385]]
+
−
* [[RXN-11410]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN0-746]]
 
−
* [[DGDPKIN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14207]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 2564-35-4
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25246112 25246112]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658023 90658023]
−
* HMDB : HMDB01440
+
{{#set: smiles=C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00286 C00286]
+
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine}}
−
* CHEBI:
+
{{#set: molecular weight=298.374   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61429 61429]
+
{{#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}}
−
* BIGG : 34502
+
{{#set: consumed by=RXN-15684}}
−
{{#set: smiles=C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))}}
+
−
{{#set: inchi key=InChIKey=HAAZLUGHYHWQIW-KVQBGUIXSA-J}}
+
−
{{#set: common name=dGTP}}
+
−
{{#set: molecular weight=503.152   }}
+
−
{{#set: common name=2'-deoxyguanosine-5'-triphosphate|deoxy-GTP|deoxyguanosine-triphosphate}}
+
−
{{#set: consumed by=RXN-14217|RXN-14208|RXN0-385|RXN-11410}}
+
−
{{#set: produced by=RXN0-746|DGDPKIN-RXN}}
+
−
{{#set: consumed or produced by=RXN-14207}}
+

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"