Difference between revisions of "CPD-14425"

Latest revision as of 11:15, 18 March 2021

common-name:
- (2e,7z,10z,13z,16z,19z)-docosahexaenoyl-coa
smiles:
- ccc=ccc=ccc=ccc=ccc=ccccc=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:
- hgvxutaezaltig-hkhrklhhsa-j
molecular-weight:
- 1073.981

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite METHYLBUT-CPD ==
+== Metabolite CPD-14425 ==
 * common-name:
-** 2-methylbutanal
+** (2e,7z,10z,13z,16z,19z)-docosahexaenoyl-coa
 * smiles:
-** ccc(c)[ch]=o
+** ccc=ccc=ccc=ccc=ccc=ccccc=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:
-** bygqbdhughbgmd-uhfffaoysa-n
+** hgvxutaezaltig-hkhrklhhsa-j
 * molecular-weight:
-** 86.133
+** 1073.981
 == Reaction(s) known to consume the compound ==
-* [[RXN-7694]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13444]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-methylbutanal}}
+{{#set: common-name=(2e,7z,10z,13z,16z,19z)-docosahexaenoyl-coa}}
-{{#set: inchi-key=inchikey=bygqbdhughbgmd-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=hgvxutaezaltig-hkhrklhhsa-j}}
-{{#set: molecular-weight=86.133}}
+{{#set: molecular-weight=1073.981}}