Difference between revisions of "CPD-208"

Latest revision as of 11:12, 18 March 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-17264 ==
+== Metabolite CPD-208 ==
 * common-name:
-** (2e,8z,11z,14z,17z)-icosa-2,8,11,14,17-pentaenoyl-coa
+** (s)-malyl-coa
 * smiles:
-** ccc=ccc=ccc=ccc=cccccc=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-]
+** 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:
-** ptromslvpfeiqj-qpyoymcksa-j
+** hjqwlhmlmcdael-ztgltyrusa-i
 * molecular-weight:
-** 1047.943
+** 878.568
 == Reaction(s) known to consume the compound ==
+* [[RXN-14937]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16021]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e,8z,11z,14z,17z)-icosa-2,8,11,14,17-pentaenoyl-coa}}
+{{#set: common-name=(s)-malyl-coa}}
-{{#set: inchi-key=inchikey=ptromslvpfeiqj-qpyoymcksa-j}}
+{{#set: inchi-key=inchikey=hjqwlhmlmcdael-ztgltyrusa-i}}
-{{#set: molecular-weight=1047.943}}
+{{#set: molecular-weight=878.568}}