Difference between revisions of "CPD-14596"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYL-P4 ADENOSYL-P4] == * smiles: ** C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYL-P4 ADENOSYL-P4] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] ==
 
* smiles:
 
* smiles:
−
** C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(OP(OCC4(C(C(C(O4)N6(C=NC5(C(=NC=NC=56)N)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=O
+
** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=YOAHKNVSNCMZGQ-XPWFQUROSA-J
+
** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
 
* common name:
 
* common name:
−
** 5',5'''-diadenosine tetraphosphate
+
** neolinustatin
 
* molecular weight:
 
* molecular weight:
−
** 832.36    
+
** 423.416    
 
* Synonym(s):
 
* Synonym(s):
−
** Ap4A
+
** butanenitrile
−
** AppppA
+
** [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]
−
** P(1),P(4)-bis(5'-adenosyl)tetraphosphate
+
−
** P1,P4-bis(5'-adenosyl)tetraphosphate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13603]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ATP-ADENYLYLTRANSFERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : 1484745
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25243905 25243905]
 
−
* HMDB : HMDB01211
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01260 C01260]
+
** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58141 58141]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
−
* METABOLIGHTS : MTBLC58141
+
* PUBCHEM:
−
{{#set: smiles=C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(OP(OCC4(C(C(C(O4)N6(C=NC5(C(=NC=NC=56)N)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=O}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
−
{{#set: inchi key=InChIKey=YOAHKNVSNCMZGQ-XPWFQUROSA-J}}
+
* HMDB : HMDB38482
−
{{#set: common name=5',5'''-diadenosine tetraphosphate}}
+
{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
−
{{#set: molecular weight=832.36   }}
+
{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
−
{{#set: common name=Ap4A|AppppA|P(1),P(4)-bis(5'-adenosyl)tetraphosphate|P1,P4-bis(5'-adenosyl)tetraphosphate}}
+
{{#set: common name=neolinustatin}}
−
{{#set: reversible reaction associated=ATP-ADENYLYLTRANSFERASE-RXN}}
+
{{#set: molecular weight=423.416   }}
 +
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
 +
{{#set: consumed by=RXN-13603}}

Latest revision as of 20:58, 21 March 2018

Metabolite CPD-14596

  • smiles:
    • CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
  • inchi key:
    • InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
  • common name:
    • neolinustatin
  • molecular weight:
    • 423.416
  • Synonym(s):
    • butanenitrile
    • [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]

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-14596&oldid=30718"