Difference between revisions of "Tiso gene 15372"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17714 CPD-17714] == * smiles: ** C(OS(=O)(=O)[O-])C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(O)C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANAL BUTANAL] == * smiles: ** CCC[CH]=O * common name: ** butan-1-al * inchi key: ** InChIKe...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17714 CPD-17714] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANAL BUTANAL] ==
 
* smiles:
 
* smiles:
−
** C(OS(=O)(=O)[O-])C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(O)C(O)C=C(C([O-])=O)O2))
+
** CCC[CH]=O
−
* inchi key:
+
−
** InChIKey=ZUXXVUFLLSQMNG-GYBHJADLSA-K
+
 
* common name:
 
* common name:
−
** 4-deoxy-β-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine 6-O-sulfate
+
** butan-1-al
 +
* inchi key:
 +
** InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 494.375    
+
** 72.107    
 
* Synonym(s):
 
* Synonym(s):
 +
** butanal
 +
** butyraldehyde
 +
** n-butyraldehyde
 +
** 1-butanal
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[BNorh]]
 +
* [[BNor]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16483]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-161]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 123-72-8
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820540 91820540]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=261 261]
−
{{#set: smiles=C(OS(=O)(=O)[O-])C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(O)C(O)C=C(C([O-])=O)O2))}}
+
* HMDB : HMDB03543
−
{{#set: inchi key=InChIKey=ZUXXVUFLLSQMNG-GYBHJADLSA-K}}
+
* LIGAND-CPD:
−
{{#set: common name=4-deoxy-β-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine 6-O-sulfate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01412 C01412]
−
{{#set: molecular weight=494.375    }}
+
* CHEMSPIDER:
−
{{#set: produced by=RXN-16483}}
+
** [http://www.chemspider.com/Chemical-Structure.256.html 256]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15743 15743]
 +
* BIGG : btal
 +
{{#set: smiles=CCC[CH]=O}}
 +
{{#set: common name=butan-1-al}}
 +
{{#set: inchi key=InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=72.107    }}
 +
{{#set: common name=butanal|butyraldehyde|n-butyraldehyde|1-butanal}}
 +
{{#set: consumed by=BNorh|BNor}}
 +
{{#set: reversible reaction associated=RXN-161}}

Revision as of 16:14, 21 March 2018

Metabolite BUTANAL

  • smiles:
    • CCC[CH]=O
  • common name:
    • butan-1-al
  • inchi key:
    • InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
  • molecular weight:
    • 72.107
  • Synonym(s):
    • butanal
    • butyraldehyde
    • n-butyraldehyde
    • 1-butanal

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 123-72-8
  • PUBCHEM:
  • HMDB : HMDB03543
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : btal
"CCC[CH]=O" cannot be used as a page name in this wiki.




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