Difference between revisions of "CPD-698"

Latest revision as of 11:16, 18 March 2021

common-name:
- campest-4-en-3-one
smiles:
- cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- qqiopzfvtihasb-imudckkosa-n
molecular-weight:
- 398.671

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17386 ==
+== Metabolite CPD-698 ==
 * common-name:
-** (2e,6z,9z,12z,15z,18z,21z)-tetracosaheptaenoyl-coa
+** campest-4-en-3-one
 * smiles:
-** ccc=ccc=ccc=ccc=ccc=ccc=cccc=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
+** cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** nvowzibkqiwtdg-aducosnasa-j
+** qqiopzfvtihasb-imudckkosa-n
 * molecular-weight:
-** 1100.019
+** 398.671
 == Reaction(s) known to consume the compound ==
-* [[RXN-16135]]
+* [[RXN-4231]]
+* [[RXN-711]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16134]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e,6z,9z,12z,15z,18z,21z)-tetracosaheptaenoyl-coa}}
+{{#set: common-name=campest-4-en-3-one}}
-{{#set: inchi-key=inchikey=nvowzibkqiwtdg-aducosnasa-j}}
+{{#set: inchi-key=inchikey=qqiopzfvtihasb-imudckkosa-n}}
-{{#set: molecular-weight=1100.019}}
+{{#set: molecular-weight=398.671}}