Difference between revisions of "CPD-14424"

Latest revision as of 17:43, 15 January 2021

smiles:
- ccc=ccc=ccc=ccc=ccc=ccccc(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-]
common-name:
- (5z,8z,11z,14z,17z)-3r-hydroxy-docosapentaenoyl-coa
inchi-key:
- kidydclnvxonef-pybsmvoosa-j
molecular-weight:
- 1091.996

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-244 ==
+== Metabolite CPD-14424 ==
 * smiles:
-** cc(c)[n+]([o-])=o
+** ccc=ccc=ccc=ccc=ccc=ccccc(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-]
 * common-name:
-** 2-nitropropane
+** (5z,8z,11z,14z,17z)-3r-hydroxy-docosapentaenoyl-coa
 * inchi-key:
-** fglbslmdcbopqk-uhfffaoysa-n
+** kidydclnvxonef-pybsmvoosa-j
 * molecular-weight:
-** 89.094
+** 1091.996
 == Reaction(s) known to consume the compound ==
-* [[NPPDO]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13443]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-nitropropane}}
+{{#set: common-name=(5z,8z,11z,14z,17z)-3r-hydroxy-docosapentaenoyl-coa}}
-{{#set: inchi-key=inchikey=fglbslmdcbopqk-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=kidydclnvxonef-pybsmvoosa-j}}
-{{#set: molecular-weight=89.094}}
+{{#set: molecular-weight=1091.996}}