Difference between revisions of "PRENAL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEAMIDO-NAD DEAMIDO-NAD] == * smiles: ** C1(C(=CC=C[N+]=1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEAMIDO-NAD DEAMIDO-NAD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] ==
 
* smiles:
 
* smiles:
−
** C1(C(=CC=C[N+]=1C5(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([O-])=O)
+
** CC(=CC=O)C
 +
* molecular weight:
 +
** 84.118   
 
* inchi key:
 
* inchi key:
−
** InChIKey=SENPVEZBRZQVST-HISDBWNOSA-L
+
** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** nicotinate adenine dinucleotide
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** 3-methyl-2-butenal
−
* molecular weight:
+
−
** 662.399   
+
 
* Synonym(s):
 
* Synonym(s):
−
** Deamino-NAD+
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** 3-methylbut-2-enal
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** NaADN
+
** 3,3-dimethyl-acrylaldehyde
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** deamido-NAD+
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** prenal
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** deamidonicotinamide adenine dinucleoetide
+
** 3-methylcrotonaldehyde
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** deamido-NAD
+
−
** NAAD
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[NAD-SYNTH-GLN-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[1.8.3.5-RXN]]
 +
* [[RXN-11989]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 6450-77-7
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* METABOLIGHTS : MTBLC15825
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* DRUGBANK : DB04099
+
−
* PUBCHEM:
+
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266646 45266646]
+
−
* HMDB : HMDB01179
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00857 C00857]
+
** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330]
 +
* HMDB : HMDB12157
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58437 58437]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825]
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* BIGG : dnad
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* PUBCHEM:
−
{{#set: smiles=C1(C(=CC=C[N+]=1C5(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([O-])=O)}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020]
−
{{#set: inchi key=InChIKey=SENPVEZBRZQVST-HISDBWNOSA-L}}
+
{{#set: smiles=CC(=CC=O)C}}
−
{{#set: common name=nicotinate adenine dinucleotide}}
+
{{#set: molecular weight=84.118    }}
−
{{#set: molecular weight=662.399    }}
+
{{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}}
−
{{#set: common name=Deamino-NAD+|NaADN|deamido-NAD+|deamidonicotinamide adenine dinucleoetide|deamido-NAD|NAAD}}
+
{{#set: common name=3-methyl-2-butenal}}
−
{{#set: consumed by=NAD-SYNTH-GLN-RXN}}
+
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}}
 +
{{#set: produced by=1.8.3.5-RXN|RXN-11989}}

Latest revision as of 18:03, 9 January 2019

Metabolite PRENAL

  • smiles:
    • CC(=CC=O)C
  • molecular weight:
    • 84.118
  • inchi key:
    • InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
  • common name:
    • 3-methyl-2-butenal
  • Synonym(s):
    • 3-methylbut-2-enal
    • 3,3-dimethyl-acrylaldehyde
    • prenal
    • 3-methylcrotonaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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