Difference between revisions of "N-acetyl-beta-D-hexosamines"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] == * smiles: ** CC(C)(C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARIN COUMARIN] == * smiles: ** C1(OC2(=CC=CC=C(C=C1)2))=O * inchi key: ** InChIKey=ZYGHJZDH...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARIN COUMARIN] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** C1(OC2(=CC=CC=C(C=C1)2))=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I
+
** InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA
+
** coumarin
 
* molecular weight:
 
* molecular weight:
−
** 968.692    
+
** 146.145    
 
* Synonym(s):
 
* Synonym(s):
−
** (hydroxymethylphenyl)succinyl-CoA
+
** cumarin
−
** 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA
+
** 1,2-benzopyrone
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-905]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-8037]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB04665
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658758 90658758]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=323 323]
−
* CHEBI:
+
* HMDB : HMDB01218
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28202 28202]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C09819 C09819]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05851 C05851]
−
* HMDB : HMDB12145
+
* CHEMSPIDER:
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
** [http://www.chemspider.com/Chemical-Structure.13848793.html 13848793]
−
{{#set: inchi key=InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I}}
+
* CHEBI:
−
{{#set: common name=2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28794 28794]
−
{{#set: molecular weight=968.692   }}
+
* METABOLIGHTS : MTBLC28794
−
{{#set: common name=(hydroxymethylphenyl)succinyl-CoA|2-carboxymethyl-3-hydroxyphenylpropionyl-CoA}}
+
{{#set: smiles=C1(OC2(=CC=CC=C(C=C1)2))=O}}
−
{{#set: consumed by=RXN-905}}
+
{{#set: inchi key=InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N}}
 +
{{#set: common name=coumarin}}
 +
{{#set: molecular weight=146.145   }}
 +
{{#set: common name=cumarin|1,2-benzopyrone}}
 +
{{#set: produced by=RXN-8037}}

Revision as of 18:59, 18 March 2018

Metabolite COUMARIN

  • smiles:
    • C1(OC2(=CC=CC=C(C=C1)2))=O
  • inchi key:
    • InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
  • common name:
    • coumarin
  • molecular weight:
    • 146.145
  • Synonym(s):
    • cumarin
    • 1,2-benzopyrone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB04665
  • PUBCHEM:
  • HMDB : HMDB01218
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC28794




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