Difference between revisions of "CPD-12850"

Revision as of 18:54, 14 January 2021

common-name:
- itaconyl-coa
smiles:
- c=c(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)c([o-])=o
inchi-key:
- nfvgylgssjprkw-citakdkdsa-i
molecular-weight:
- 874.579

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-6661 ==
+== Metabolite CPD-1137 ==
 * common-name:
-** 1d-myo-inositol (1,2,3,4,6)-pentakisphosphate
+** itaconyl-coa
 * smiles:
-** c1(o)(c(op([o-])(=o)[o-])c(op([o-])([o-])=o)c(op([o-])([o-])=o)c(op(=o)([o-])[o-])c(op(=o)([o-])[o-])1)
+** c=c(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)c([o-])=o
 * inchi-key:
-** ctpqaxvnygzuaj-qwbqgljisa-d
+** nfvgylgssjprkw-citakdkdsa-i
 * molecular-weight:
-** 569.977
+** 874.579
 == Reaction(s) known to consume the compound ==
-* [[RXN-7186]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7186]]
+* [[RXN-8988]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1d-myo-inositol (1,2,3,4,6)-pentakisphosphate}}
+{{#set: common-name=itaconyl-coa}}
-{{#set: inchi-key=inchikey=ctpqaxvnygzuaj-qwbqgljisa-d}}
+{{#set: inchi-key=inchikey=nfvgylgssjprkw-citakdkdsa-i}}
-{{#set: molecular-weight=569.977}}
+{{#set: molecular-weight=874.579}}