Difference between revisions of "THIAMINE-P"

Revision as of 13:10, 14 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S ==
+== Metabolite CPDMETA-13652 ==
 * common-name:
-** 4-deoxy-&beta;-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-galactosamine 6-sulfate
+** raucaffrinoline
 * smiles:
-** cc(=o)nc2(c(o)oc(cos(=o)(=o)[o-])c(o)c(oc1(oc(c([o-])=o)=cc(o)c(o)1))2)
+** cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6)))))
 * inchi-key:
-** bujztfindcqrgp-ztvljyeesa-l
+** ximpcxfldskalh-vqhwpedhsa-n
 * molecular-weight:
-** 457.362
+** 352.432
 == Reaction(s) known to consume the compound ==
-* [[RXN-12177]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-12673]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-deoxy-&beta;-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-galactosamine 6-sulfate}}
+{{#set: common-name=raucaffrinoline}}
-{{#set: inchi-key=inchikey=bujztfindcqrgp-ztvljyeesa-l}}
+{{#set: inchi-key=inchikey=ximpcxfldskalh-vqhwpedhsa-n}}
-{{#set: molecular-weight=457.362}}
+{{#set: molecular-weight=352.432}}