Difference between revisions of "CPD-17346"

Latest revision as of 11:17, 18 March 2021

common-name:
- 3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa
smiles:
- cccccc=ccc=ccccccccc(=o)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:
- puwduocpcwfefg-ygyqdceasa-j
molecular-weight:
- 1067.974

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite SECOLOGANIN-CPD ==
+== Metabolite CPD-17346 ==
 * common-name:
-** secologanin
+** 3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa
 * smiles:
-** c=c[ch]1(c(oc=c(c(=o)oc)[ch](cc=o)1)oc2(oc(co)c(o)c(o)c(o)2))
+** cccccc=ccc=ccccccccc(=o)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:
-** cskkdsfetglmsb-nrzpkykesa-n
+** puwduocpcwfefg-ygyqdceasa-j
 * molecular-weight:
-** 388.371
+** 1067.974
 == Reaction(s) known to consume the compound ==
-* [[STRICTOSIDINE-SYNTHASE-RXN]]
+* [[RXN-16095]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-16094]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=secologanin}}
+{{#set: common-name=3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa}}
-{{#set: inchi-key=inchikey=cskkdsfetglmsb-nrzpkykesa-n}}
+{{#set: inchi-key=inchikey=puwduocpcwfefg-ygyqdceasa-j}}
-{{#set: molecular-weight=388.371}}
+{{#set: molecular-weight=1067.974}}