Difference between revisions of "SAICARSYN-RXN"

Revision as of 13:30, 21 March 2018

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 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=Thiopurine-Methylethers Thiopurine-Methylethers] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] ==
+* smiles:
+** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
+* inchi key:
+** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
 * common name:
-** a thiopurine S-methylether
+** scopolin
+* molecular weight:
+** 354.313
 * Synonym(s):
 == Reaction(s) known to consume the compound ==
+* [[RXN-14179]]
 == Reaction(s) known to produce the compound ==
-* [[THIOPURINE-S-METHYLTRANSFERASE-RXN]]
 == Reaction(s) of unknown directionality ==
 == External links  ==
-{{#set: common name=a thiopurine S-methylether}}
+* NCI:
-{{#set: produced by=THIOPURINE-S-METHYLTRANSFERASE-RXN}}
+** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
+* CAS : 531-44-2
+* PUBCHEM:
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
+* CHEMSPIDER:
+** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
+* CHEBI:
+** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
+* METABOLIGHTS : MTBLC16065
+{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
+{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
+{{#set: common name=scopolin}}
+{{#set: molecular weight=354.313    }}
+{{#set: consumed by=RXN-14179}}