Difference between revisions of "CPD-6991"

Revision as of 15:26, 5 January 2021

common-name:
- (s)-malyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(c([o-])=o)o)=o)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:
- hjqwlhmlmcdael-ztgltyrusa-i
molecular-weight:
- 878.568

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17388 ==
+== Metabolite CPD-208 ==
 * common-name:
-** 3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
+** (s)-malyl-coa
 * smiles:
-** ccc=ccc=ccc=ccc=ccc=ccc=cccc(=o)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
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(c([o-])=o)o)=o)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:
-** dnhdpaxpqgygij-kwfbmmabsa-j
+** hjqwlhmlmcdael-ztgltyrusa-i
 * molecular-weight:
-** 1116.018
+** 878.568
 == Reaction(s) known to consume the compound ==
-* [[RXN-16137]]
+* [[RXN-14937]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa}}
+{{#set: common-name=(s)-malyl-coa}}
-{{#set: inchi-key=inchikey=dnhdpaxpqgygij-kwfbmmabsa-j}}
+{{#set: inchi-key=inchikey=hjqwlhmlmcdael-ztgltyrusa-i}}
-{{#set: molecular-weight=1116.018}}
+{{#set: molecular-weight=878.568}}