Difference between revisions of "C3"

Revision as of 19:03, 17 March 2021

common-name:
- (3s)-hydroxyadipyl-coa
molecular-weight:
- 906.621
inchi-key:
- oteacgaedcimbs-notshufbsa-i
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(ccc(=o)[o-])o)=o)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-ALPHA-HYDROXYETHYL-THPP ==
+== Metabolite 3-HYDROXYADIPYL-COA ==
 * common-name:
-** 2-(&alpha;-hydroxyethyl)thiamine diphosphate
+** (3s)-hydroxyadipyl-coa
 * molecular-weight:
-** 466.341
+** 906.621
 * inchi-key:
-** rruvjgasjonmdy-uhfffaoysa-l
+** oteacgaedcimbs-notshufbsa-i
 * smiles:
-** cc2(=c(sc(c(c)o)=[n+](cc1(c=nc(c)=nc(n)=1))2)ccop(=o)([o-])op(=o)([o-])[o-])
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(ccc(=o)[o-])o)=o)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
 == Reaction(s) known to consume the compound ==
-* [[RXN-12508]]
+* [[RXN-2425]]
+* [[RXN0-2044]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12583]]
+* [[RXN-2425]]
+* [[RXN0-2044]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-(&alpha;-hydroxyethyl)thiamine diphosphate}}
+{{#set: common-name=(3s)-hydroxyadipyl-coa}}
-{{#set: molecular-weight=466.341}}
+{{#set: molecular-weight=906.621}}
-{{#set: inchi-key=inchikey=rruvjgasjonmdy-uhfffaoysa-l}}
+{{#set: inchi-key=inchikey=oteacgaedcimbs-notshufbsa-i}}