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 CPD1G-772 ==
+== Metabolite CPD-13080 ==
 * common-name:
-** 6-o-trans-methoxy-mycolyl-trehalose 6-phosphate
+** solasodine
 * smiles:
-** ccccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)cop([o-])(=o)[o-])o)o)o)))=o)c(o)cccccccccccccccc3(cc3c(c)cccccccccccccccc(oc)c(c)cccccccccccccccccc)
+** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c6(c(c)5ccc(o)c6))))))
 * inchi-key:
-** xlnaxspacrjuad-bzzonohysa-l
+** kwvisvamqjwjsz-rqommasjsa-n
 * molecular-weight:
-** 1670.535
+** 413.642
 == Reaction(s) known to consume the compound ==
-* [[RXN1G-1437]]
+* [[RXN-12123]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=6-o-trans-methoxy-mycolyl-trehalose 6-phosphate}}
+{{#set: common-name=solasodine}}
-{{#set: inchi-key=inchikey=xlnaxspacrjuad-bzzonohysa-l}}
+{{#set: inchi-key=inchikey=kwvisvamqjwjsz-rqommasjsa-n}}
-{{#set: molecular-weight=1670.535}}
+{{#set: molecular-weight=413.642}}