Difference between revisions of "CPD-17348"

Latest revision as of 11:18, 18 March 2021

common-name:
- (2e, 11z,14z)-icosa-2,11,14-trienoyl-coa
smiles:
- cccccc=ccc=ccccccccc=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:
- jlhullpftgligf-dbyuabgnsa-j
molecular-weight:
- 1051.975

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9899 ==
+== Metabolite CPD-17348 ==
 * common-name:
-** 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
+** (2e, 11z,14z)-icosa-2,11,14-trienoyl-coa
 * smiles:
-** cc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=ccc1(=c(c(oc)=cc(c([o-])=o)=c1)o))c)c)c)c)c)c)c)c
+** cccccc=ccc=ccccccccc=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:
-** dzwhypvptjpqqx-mycgwmctsa-m
+** jlhullpftgligf-dbyuabgnsa-j
 * molecular-weight:
-** 712.086
+** 1051.975
 == Reaction(s) known to consume the compound ==
+* [[RXN-16097]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-9280]]
+* [[RXN-16096]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate}}
+{{#set: common-name=(2e, 11z,14z)-icosa-2,11,14-trienoyl-coa}}
-{{#set: inchi-key=inchikey=dzwhypvptjpqqx-mycgwmctsa-m}}
+{{#set: inchi-key=inchikey=jlhullpftgligf-dbyuabgnsa-j}}
-{{#set: molecular-weight=712.086}}
+{{#set: molecular-weight=1051.975}}