Difference between revisions of "CPD-13080"

Latest revision as of 11:14, 18 March 2021

common-name:
- solasodine
smiles:
- cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c6(c(c)5ccc(o)c6))))))
inchi-key:
- kwvisvamqjwjsz-rqommasjsa-n
molecular-weight:
- 413.642

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17641 ==
+== Metabolite CPD-13080 ==
 * common-name:
-** 18-hydroxystearoyl-coa
+** solasodine
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccccccccccccccccco)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-]
+** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c6(c(c)5ccc(o)c6))))))
 * inchi-key:
-** wmnwnrkmanjlhy-lfzquhgesa-j
+** kwvisvamqjwjsz-rqommasjsa-n
 * molecular-weight:
-** 1045.968
+** 413.642
 == Reaction(s) known to consume the compound ==
+* [[RXN-12123]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16401]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=18-hydroxystearoyl-coa}}
+{{#set: common-name=solasodine}}
-{{#set: inchi-key=inchikey=wmnwnrkmanjlhy-lfzquhgesa-j}}
+{{#set: inchi-key=inchikey=kwvisvamqjwjsz-rqommasjsa-n}}
-{{#set: molecular-weight=1045.968}}
+{{#set: molecular-weight=413.642}}