Difference between revisions of "CPD-16475"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] == * smiles: ** CC([CH]=O)=O * inchi key: ** InChIKey=AIJULSRZWU...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16475 CPD-16475] == * smiles: ** CC3(C(O)C(O)C(O)C(OC2(C(NC(C)=O)C(O)OC(CO)C(OC1(OC(CO)C(O)...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16475 CPD-16475] ==
 
* smiles:
 
* smiles:
** CC([CH]=O)=O
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** CC3(C(O)C(O)C(O)C(OC2(C(NC(C)=O)C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))2))O3)
 
* inchi key:
 
* inchi key:
** InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N
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** InChIKey=HBBOZFUQJDYASD-QGTNPELVSA-N
 
* common name:
 
* common name:
** methylglyoxal
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** β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamine
 
* molecular weight:
 
* molecular weight:
** 72.063    
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** 529.494    
 
* Synonym(s):
 
* Synonym(s):
** oxopropanal
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** β-D-galactosyl-1,4-[α-L-fucosyl-1,3]-N-acetyl-D-glucosamine
** acetylformaldehyde
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** Lewis x epitope
** pyruvic aldehyde
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** Lex epitope
** pyruvaldehyde
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** methyl-glyoxal
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** 2-oxo-propanal
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[GLYOXIII-RXN]]
 
* [[RXN-17631]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-17626]]
 
* [[RXN-17627]]
 
* [[AMACETOXID-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[GLYOXI-RXN]]
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* [[RXN-15268]]
 
== External links  ==
 
== External links  ==
* CAS : 78-98-8
 
* BIGG : 35307
 
* DRUGBANK : DB03587
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=880 880]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11813424 11813424]
* HMDB : HMDB01167
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00546 C00546]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.857.html 857]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17158 17158]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62287 62287]
* METABOLIGHTS : MTBLC17158
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{{#set: smiles=CC3(C(O)C(O)C(O)C(OC2(C(NC(C)=O)C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))2))O3)}}
{{#set: smiles=CC([CH]=O)=O}}
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{{#set: inchi key=InChIKey=HBBOZFUQJDYASD-QGTNPELVSA-N}}
{{#set: inchi key=InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N}}
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{{#set: common name=β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamine}}
{{#set: common name=methylglyoxal}}
+
{{#set: molecular weight=529.494   }}
{{#set: molecular weight=72.063   }}
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{{#set: common name=β-D-galactosyl-1,4-[α-L-fucosyl-1,3]-N-acetyl-D-glucosamine|Lewis x epitope|Lex epitope}}
{{#set: common name=oxopropanal|acetylformaldehyde|pyruvic aldehyde|pyruvaldehyde|methyl-glyoxal|2-oxo-propanal}}
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{{#set: reversible reaction associated=RXN-15268}}
{{#set: consumed by=GLYOXIII-RXN|RXN-17631}}
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{{#set: produced by=RXN-17626|RXN-17627|AMACETOXID-RXN}}
+
{{#set: reversible reaction associated=GLYOXI-RXN}}
+

Latest revision as of 19:48, 21 March 2018

Metabolite CPD-16475

  • smiles:
    • CC3(C(O)C(O)C(O)C(OC2(C(NC(C)=O)C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))2))O3)
  • inchi key:
    • InChIKey=HBBOZFUQJDYASD-QGTNPELVSA-N
  • common name:
    • β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamine
  • molecular weight:
    • 529.494
  • Synonym(s):
    • β-D-galactosyl-1,4-[α-L-fucosyl-1,3]-N-acetyl-D-glucosamine
    • Lewis x epitope
    • Lex epitope

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links


"β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamine" cannot be used as a page name in this wiki.
"β-D-galactosyl-1,4-[α-L-fucosyl-1,3]-N-acetyl-D-glucosamine" cannot be used as a page name in this wiki.