Difference between revisions of "CPD-17388"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-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
inchi-key:
- dnhdpaxpqgygij-kwfbmmabsa-j
molecular-weight:
- 1116.018

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9699 ==
+== Metabolite CPD-17388 ==
 * common-name:
-** hypoglycin a
+** 3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
 * smiles:
-** c=c1(c(cc([n+])c([o-])=o)c1)
+** 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
 * inchi-key:
-** oojzcxfxpzgubj-uhfffaoysa-n
+** dnhdpaxpqgygij-kwfbmmabsa-j
 * molecular-weight:
-** 141.169
+** 1116.018
 == Reaction(s) known to consume the compound ==
-* [[RXN-9157]]
+* [[RXN-16137]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=hypoglycin a}}
+{{#set: common-name=3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa}}
-{{#set: inchi-key=inchikey=oojzcxfxpzgubj-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=dnhdpaxpqgygij-kwfbmmabsa-j}}
-{{#set: molecular-weight=141.169}}
+{{#set: molecular-weight=1116.018}}