Difference between revisions of "HYDROXY-915-DIOXOPROSTA-13-ENOATE"

Revision as of 15:28, 5 January 2021

common-name:
- 3r-hydroxy-icosatrienoyl-coa
smiles:
- ccc=ccc=ccc=ccccccccc(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:
- aukmttjfpkefdq-ivictrqzsa-j
molecular-weight:
- 1067.974

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite HYDROXY-915-DIOXOPROSTA-13-ENOATE ==
+== Metabolite CPD-14419 ==
 * common-name:
-** 15-dehydro-prostaglandin e2
+** 3r-hydroxy-icosatrienoyl-coa
 * smiles:
-** cccccc(=o)c=cc1(c(cc=ccccc(=o)[o-])c(=o)cc(o)1)
+** ccc=ccc=ccc=ccccccccc(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:
-** yrtjdwrobkpznv-kmxmbppjsa-m
+** aukmttjfpkefdq-ivictrqzsa-j
 * molecular-weight:
-** 349.446
+** 1067.974
 == Reaction(s) known to consume the compound ==
-* [[1.1.1.141-RXN]]
+* [[RXN-13001]]
 == Reaction(s) known to produce the compound ==
-* [[1.1.1.141-RXN]]
+* [[RXN-12994]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=15-dehydro-prostaglandin e2}}
+{{#set: common-name=3r-hydroxy-icosatrienoyl-coa}}
-{{#set: inchi-key=inchikey=yrtjdwrobkpznv-kmxmbppjsa-m}}
+{{#set: inchi-key=inchikey=aukmttjfpkefdq-ivictrqzsa-j}}
-{{#set: molecular-weight=349.446}}
+{{#set: molecular-weight=1067.974}}