Difference between revisions of "CPD0-2472"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2472 CPD0-2472] == * smiles: ** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2472 CPD0-2472] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-]
+
** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)
−
* inchi key:
+
−
** InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
+
 
* common name:
 
* common name:
−
** (3S)-hydroxyadipyl-CoA
+
** (R)-NADHX
 +
* inchi key:
 +
** InChIKey=IDBZKGQRLBFUFQ-MTKBYBFRSA-L
 
* molecular weight:
 
* molecular weight:
−
** 906.621    
+
** 681.445    
 
* Synonym(s):
 
* Synonym(s):
 +
** (6R)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12754]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-2425]]
 
−
* [[RXN0-2044]]
 
−
* [[RXN0-6513]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70679061 70679061]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=56927860 56927860]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=70990 70990]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=64075 64075]
−
* LIGAND-CPD:
+
{{#set: smiles=C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C14145 C14145]
+
{{#set: common name=(R)-NADHX}}
−
* HMDB : HMDB12475
+
{{#set: inchi key=InChIKey=IDBZKGQRLBFUFQ-MTKBYBFRSA-L}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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: molecular weight=681.445   }}
−
{{#set: inchi key=InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I}}
+
{{#set: common name=(6R)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide}}
−
{{#set: common name=(3S)-hydroxyadipyl-CoA}}
+
{{#set: produced by=RXN-12754}}
−
{{#set: molecular weight=906.621   }}
+
−
{{#set: consumed or produced by=RXN-2425|RXN0-2044|RXN0-6513}}
+

Latest revision as of 21:17, 21 March 2018

Metabolite CPD0-2472

  • smiles:
    • C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)
  • common name:
    • (R)-NADHX
  • inchi key:
    • InChIKey=IDBZKGQRLBFUFQ-MTKBYBFRSA-L
  • molecular weight:
    • 681.445
  • Synonym(s):
    • (6R)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)" cannot be used as a page name in this wiki.



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