Difference between revisions of "CPD-19169"

Latest revision as of 11:18, 18 March 2021

common-name:
- 3-oxo-(9z)-octadecenoyl-coa
smiles:
- ccccccccc=ccccccc(=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:
- aveyykdekgjvbu-bpmmelmssa-j
molecular-weight:
- 1041.936

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CONIFERYL-ALCOHOL ==
+== Metabolite CPD-19169 ==
 * common-name:
-** coniferyl alcohol
+** 3-oxo-(9z)-octadecenoyl-coa
 * smiles:
-** coc1(=cc(c=cco)=cc=c(o)1)
+** ccccccccc=ccccccc(=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:
-** jmfrwrfflbvwsi-nscuhmnnsa-n
+** aveyykdekgjvbu-bpmmelmssa-j
 * molecular-weight:
-** 180.203
+** 1041.936
 == Reaction(s) known to consume the compound ==
-* [[RXN-17351]]
+* [[RXN-17778]]
-* [[RXN-17352]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17777]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=coniferyl alcohol}}
+{{#set: common-name=3-oxo-(9z)-octadecenoyl-coa}}
-{{#set: inchi-key=inchikey=jmfrwrfflbvwsi-nscuhmnnsa-n}}
+{{#set: inchi-key=inchikey=aveyykdekgjvbu-bpmmelmssa-j}}
-{{#set: molecular-weight=180.203}}
+{{#set: molecular-weight=1041.936}}