Difference between revisions of "CPD-17403"

Revision as of 14:54, 5 January 2021

common-name:
- (8z,11z,14z,17z)-icosa-8,11,14,17-tetraenoyl-coa
smiles:
- ccc=ccc=ccc=ccc=cccccccc(=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:
- plhicykopitjjt-qwoxclfssa-j
molecular-weight:
- 1049.959

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14746 ==
+== Metabolite CPD-14394 ==
 * common-name:
-** thiobenzoate
+** (8z,11z,14z,17z)-icosa-8,11,14,17-tetraenoyl-coa
 * smiles:
-** c(c1(c=cc=cc=1))(s)=o
+** ccc=ccc=ccc=ccc=cccccccc(=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:
-** uijgntrupzpvng-uhfffaoysa-n
+** plhicykopitjjt-qwoxclfssa-j
 * molecular-weight:
-** 138.184
+** 1049.959
 == Reaction(s) known to consume the compound ==
-* [[RXN-13725]]
+* [[RXN-16042]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=thiobenzoate}}
+{{#set: common-name=(8z,11z,14z,17z)-icosa-8,11,14,17-tetraenoyl-coa}}
-{{#set: inchi-key=inchikey=uijgntrupzpvng-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=plhicykopitjjt-qwoxclfssa-j}}
-{{#set: molecular-weight=138.184}}
+{{#set: molecular-weight=1049.959}}