Difference between revisions of "CPD-19158"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-(9z)-hexadecenoyl-coa
smiles:
- ccccccc=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:
- jdnargywmlyada-mdmkaecgsa-j
molecular-weight:
- 1013.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7063 ==
+== Metabolite CPD-19158 ==
 * common-name:
-** red chlorophyll catabolite
+** 3-oxo-(9z)-hexadecenoyl-coa
 * smiles:
-** ccc1(c(c)=c(nc=1c=c4(c(c)=c5(c(=o)[c-](c(oc)=o)c(c2(c(ccc(=o)[o-])c(c)c(n=2)=cc3(c(c)=c(c=c)c(=o)n3)))=c(n4)5)))c=o)
+** ccccccc=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:
-** gvtpycxgtfqzdt-yssugppcsa-m
+** jdnargywmlyada-mdmkaecgsa-j
 * molecular-weight:
-** 624.692
+** 1013.883
 == Reaction(s) known to consume the compound ==
-* [[RXN-7741]]
+* [[RXN-17791]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7740]]
+* [[RXN-17790]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=red chlorophyll catabolite}}
+{{#set: common-name=3-oxo-(9z)-hexadecenoyl-coa}}
-{{#set: inchi-key=inchikey=gvtpycxgtfqzdt-yssugppcsa-m}}
+{{#set: inchi-key=inchikey=jdnargywmlyada-mdmkaecgsa-j}}
-{{#set: molecular-weight=624.692}}
+{{#set: molecular-weight=1013.883}}