Difference between revisions of "CPD-14420"

Latest revision as of 11:15, 18 March 2021

common-name:
- icosatrienoyl-2-enoyl coa
smiles:
- ccc=ccc=ccc=ccccccccc=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-]
inchi-key:
- yjkoikylhsmlhc-atrrwjjysa-j
molecular-weight:
- 1049.959

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15689 ==
+== Metabolite CPD-14420 ==
 * common-name:
-** (2e,5e)-dodeca-2,5-dienoyl-coa
+** icosatrienoyl-2-enoyl coa
 * smiles:
-** ccccccc=ccc=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-]
+** ccc=ccc=ccc=ccccccccc=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-]
 * inchi-key:
-** zsjrxhrcabosnc-uovvplbnsa-j
+** yjkoikylhsmlhc-atrrwjjysa-j
 * molecular-weight:
-** 941.776
+** 1049.959
 == Reaction(s) known to consume the compound ==
-* [[RXN-14801]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13001]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e,5e)-dodeca-2,5-dienoyl-coa}}
+{{#set: common-name=icosatrienoyl-2-enoyl coa}}
-{{#set: inchi-key=inchikey=zsjrxhrcabosnc-uovvplbnsa-j}}
+{{#set: inchi-key=inchikey=yjkoikylhsmlhc-atrrwjjysa-j}}
-{{#set: molecular-weight=941.776}}
+{{#set: molecular-weight=1049.959}}