Difference between revisions of "CPD-15369"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3r-hydroxy-lesqueroloyl-coa
smiles:
- ccccccc(o)cc=ccccccccc(o)cc(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-])=o
inchi-key:
- chmqnmkvoyfhhx-sgpqcwjrsa-j
molecular-weight:
- 1088.005

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-10283 ==
+== Metabolite CPD-15369 ==
 * common-name:
-** 3-oxo-behenoyl-coa
+** 3r-hydroxy-lesqueroloyl-coa
 * smiles:
-** cccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** ccccccc(o)cc=ccccccccc(o)cc(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-])=o
 * inchi-key:
-** rkcogguhkptoqj-gnsuaqhmsa-j
+** chmqnmkvoyfhhx-sgpqcwjrsa-j
 * molecular-weight:
-** 1100.059
+** 1088.005
 == Reaction(s) known to consume the compound ==
-* [[RXN-13299]]
+* [[RXN-14494]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13295]]
+* [[RXN-14493]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-behenoyl-coa}}
+{{#set: common-name=3r-hydroxy-lesqueroloyl-coa}}
-{{#set: inchi-key=inchikey=rkcogguhkptoqj-gnsuaqhmsa-j}}
+{{#set: inchi-key=inchikey=chmqnmkvoyfhhx-sgpqcwjrsa-j}}
-{{#set: molecular-weight=1100.059}}
+{{#set: molecular-weight=1088.005}}