Difference between revisions of "CPD1F-90"

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(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=DEOXYADENOSINE DEOXYADENOSINE] == * smiles: ** C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23))) * inc...")
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=DEOXYADENOSINE DEOXYADENOSINE] ==
 
* 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
+
** C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))
 
* inchi key:
 
* inchi key:
−
** InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L
+
** InChIKey=OLXZPDWKRNYJJZ-RRKCRQDMSA-N
 
* common name:
 
* common name:
−
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
+
** 2'-deoxyadenosine
 
* molecular weight:
 
* molecular weight:
−
** 842.848    
+
** 251.244    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP
+
** deoxyadenosine
−
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione
+
** 2-deoxy-adenosine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-15681]]
+
* [[ADDALT-RXN]]
 
== 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 ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 958-09-8
 +
* BIGG : 35352
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657797 90657797]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=13730 13730]
−
{{#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}}
+
* HMDB : HMDB00101
−
{{#set: inchi key=InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L}}
+
* LIGAND-CPD:
−
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00559 C00559]
−
{{#set: molecular weight=842.848   }}
+
* CHEMSPIDER:
−
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione}}
+
** [http://www.chemspider.com/Chemical-Structure.13135.html 13135]
−
{{#set: consumed by=RXN-15681}}
+
* CHEBI:
−
{{#set: produced by=RXN-15680}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17256 17256]
 +
* METABOLIGHTS : MTBLC17256
 +
{{#set: smiles=C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))}}
 +
{{#set: inchi key=InChIKey=OLXZPDWKRNYJJZ-RRKCRQDMSA-N}}
 +
{{#set: common name=2'-deoxyadenosine}}
 +
{{#set: molecular weight=251.244   }}
 +
{{#set: common name=deoxyadenosine|2-deoxy-adenosine}}
 +
{{#set: consumed by=ADDALT-RXN}}

Revision as of 13:55, 21 March 2018

Metabolite DEOXYADENOSINE

  • smiles:
    • C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))
  • inchi key:
    • InChIKey=OLXZPDWKRNYJJZ-RRKCRQDMSA-N
  • common name:
    • 2'-deoxyadenosine
  • molecular weight:
    • 251.244
  • Synonym(s):
    • deoxyadenosine
    • 2-deoxy-adenosine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 958-09-8
  • BIGG : 35352
  • PUBCHEM:
  • HMDB : HMDB00101
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17256




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