Difference between revisions of "CPD-15652"

Latest revision as of 11:18, 18 March 2021

common-name:
- (3r)-hydroxy, 6-trans-tridecenoyl-coa
smiles:
- ccccccc=cccc(o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)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-]
inchi-key:
- adzjvtnixnsngu-ovqifrbasa-j
molecular-weight:
- 973.818

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite THIAMINE-PYROPHOSPHATE ==
+== Metabolite CPD-15652 ==
 * common-name:
-** thiamine diphosphate
+** (3r)-hydroxy, 6-trans-tridecenoyl-coa
 * smiles:
-** cc1([n+](=csc(ccop([o-])(=o)op([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
+** ccccccc=cccc(o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)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-]
 * inchi-key:
-** ayekofbpnlcajy-uhfffaoysa-l
+** adzjvtnixnsngu-ovqifrbasa-j
 * molecular-weight:
-** 422.288
+** 973.818
 == Reaction(s) known to consume the compound ==
-* [[RXN-12583]]
-* [[RXN-14037]]
-* [[RXN0-3542]]
 == Reaction(s) known to produce the compound ==
-* [[PDHam2hi]]
+* [[RXN-14786]]
-* [[PDHam2mi]]
-* [[RXN-12508]]
-* [[RXN-14037]]
-* [[RXN0-3542]]
-* [[THIAMIN-PYROPHOSPHOKINASE-RXN]]
-* [[THIAMIN-TRIPHOSPHATASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=thiamine diphosphate}}
+{{#set: common-name=(3r)-hydroxy, 6-trans-tridecenoyl-coa}}
-{{#set: inchi-key=inchikey=ayekofbpnlcajy-uhfffaoysa-l}}
+{{#set: inchi-key=inchikey=adzjvtnixnsngu-ovqifrbasa-j}}
-{{#set: molecular-weight=422.288}}
+{{#set: molecular-weight=973.818}}