Difference between revisions of "CPD-12173"

Revision as of 13:08, 14 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17388 ==
+== Metabolite CPD-8678 ==
 * common-name:
-** 3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
+** 9(s)-hpote
 * 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
+** ccc=ccc=cc=cc(cccccccc([o-])=o)oo
 * inchi-key:
-** dnhdpaxpqgygij-kwfbmmabsa-j
+** rwkjtihnysiihw-mebvtjqtsa-m
 * molecular-weight:
-** 1116.018
+** 309.425
 == Reaction(s) known to consume the compound ==
-* [[RXN-16137]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-8497]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa}}
+{{#set: common-name=9(s)-hpote}}
-{{#set: inchi-key=inchikey=dnhdpaxpqgygij-kwfbmmabsa-j}}
+{{#set: inchi-key=inchikey=rwkjtihnysiihw-mebvtjqtsa-m}}
-{{#set: molecular-weight=1116.018}}
+{{#set: molecular-weight=309.425}}