Difference between revisions of "CPD-703"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOLACTOSE 3-KETOLACTOSE] == * smiles: ** C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-703 CPD-703] == * smiles: ** C(=O)C1(C=CC(=CC=1)[N+]([O-])=O) * common name: ** 4-nitrobenz...")
 
(3 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-KETOLACTOSE 3-KETOLACTOSE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-703 CPD-703] ==
 
* smiles:
 
* smiles:
** C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)
+
** C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)
* inchi key:
+
** InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N
+
 
* common name:
 
* common name:
** 3'-ketolactose
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** 4-nitrobenzaldehyde
 +
* inchi key:
 +
** InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 340.283    
+
** 151.121    
 
* Synonym(s):
 
* Synonym(s):
** 3'-dehydro-β-D-galactosyl-β-D-glucopyranoside
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** 4NBZ
 +
** p-nitrobenzaldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[KETOLACTOSE-RXN]]
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* [[RXN0-5141]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CHEBI:
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* CAS : 555-16-8
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27571 27571]
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* KEGG-GLYCAN : G10531
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C05403 C05403]
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201057 25201057]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=541 541]
* HMDB : HMDB01030
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* CHEMSPIDER:
{{#set: smiles=C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)}}
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** [http://www.chemspider.com/Chemical-Structure.526.html 526]
{{#set: inchi key=InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N}}
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* CHEBI:
{{#set: common name=3'-ketolactose}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=66926 66926]
{{#set: molecular weight=340.283   }}
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* NCI:
{{#set: common name=3'-dehydro-β-D-galactosyl-β-D-glucopyranoside}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=6103 6103]
{{#set: consumed by=KETOLACTOSE-RXN}}
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{{#set: smiles=C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)}}
 +
{{#set: common name=4-nitrobenzaldehyde}}
 +
{{#set: inchi key=InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=151.121   }}
 +
{{#set: common name=4NBZ|p-nitrobenzaldehyde}}
 +
{{#set: consumed by=RXN0-5141}}

Latest revision as of 20:11, 21 March 2018

Metabolite CPD-703

  • smiles:
    • C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)
  • common name:
    • 4-nitrobenzaldehyde
  • inchi key:
    • InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N
  • molecular weight:
    • 151.121
  • Synonym(s):
    • 4NBZ
    • p-nitrobenzaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)" cannot be used as a page name in this wiki.