Difference between revisions of "SJ06413"

Revision as of 09:24, 27 August 2019

common-name:
- 2-(α-hydroxyethyl)thiamine diphosphate
smiles:
- cc2(=c(sc(c(c)o)=[n+](cc1(c=nc(c)=nc(n)=1))2)ccop(=o)([o-])op(=o)([o-])[o-])
inchi-key:
- rruvjgasjonmdy-uhfffaoysa-l
molecular-weight:
- 466.341

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8462 CPD-8462] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ALPHA-HYDROXYETHYL-THPP 2-ALPHA-HYDROXYETHYL-THPP] ==
 * common-name:
-** pentadecanoate
+** 2-(&alpha;-hydroxyethyl)thiamine diphosphate
 * smiles:
-** ccccccccccccccc([o-])=o
+** cc2(=c(sc(c(c)o)=[n+](cc1(c=nc(c)=nc(n)=1))2)ccop(=o)([o-])op(=o)([o-])[o-])
 * inchi-key:
-** wqepluugtldzjy-uhfffaoysa-m
+** rruvjgasjonmdy-uhfffaoysa-l
 * molecular-weight:
-** 241.393
+** 466.341
 == Reaction(s) known to consume the compound ==
+* [[PDHam2hi]]
+* [[PDHam2mi]]
+* [[RXN-12508]]
+* [[RXN-14037]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-476-CPD-388/NAD/WATER//CPD-8462/NADH/PROTON.40.]]
+* [[RXN-12583]]
+* [[RXN-14037]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=pentadecanoate}}
+{{#set: common-name=2-(&alpha;-hydroxyethyl)thiamine diphosphate}}
-{{#set: inchi-key=inchikey=wqepluugtldzjy-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=rruvjgasjonmdy-uhfffaoysa-l}}
-{{#set: molecular-weight=241.393}}
+{{#set: molecular-weight=466.341}}