Difference between revisions of "5-METHYL-THF"

Revision as of 18:55, 14 January 2021

common-name:
- 4-deoxy-β-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-galactosamine 6-sulfate
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)
inchi-key:
- bujztfindcqrgp-ztvljyeesa-l
molecular-weight:
- 457.362

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite THIAMINE-P ==
+== Metabolite 4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S ==
 * common-name:
-** thiamine phosphate
+** 4-deoxy-&beta;-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-galactosamine 6-sulfate
 * smiles:
-** cc1([n+](=csc(ccop([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
+** cc(=o)nc2(c(o)oc(cos(=o)(=o)[o-])c(o)c(oc1(oc(c([o-])=o)=cc(o)c(o)1))2)
 * inchi-key:
-** hzsajdvwzrbgif-uhfffaoysa-m
+** bujztfindcqrgp-ztvljyeesa-l
 * molecular-weight:
-** 343.317
+** 457.362
 == Reaction(s) known to consume the compound ==
-* [[RXN0-3542]]
+* [[RXN-12177]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12610]]
-* [[RXN-12611]]
-* [[RXN0-3542]]
-* [[THI-P-SYN-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=thiamine phosphate}}
+{{#set: common-name=4-deoxy-&beta;-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-galactosamine 6-sulfate}}
-{{#set: inchi-key=inchikey=hzsajdvwzrbgif-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=bujztfindcqrgp-ztvljyeesa-l}}
-{{#set: molecular-weight=343.317}}
+{{#set: molecular-weight=457.362}}