Difference between revisions of "CPD-14271"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxoicosanoyl-coa
smiles:
- cccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- fybvhnzjdvuvlj-ibyujnrcsa-j
molecular-weight:
- 1072.006

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17815 ==
+== Metabolite CPD-14271 ==
 * common-name:
-** (11z)-3-oxo-hexadecenoyl-coa
+** 3-oxoicosanoyl-coa
 * smiles:
-** ccccc=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-]
+** cccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** lgtvdwicxibioi-ubpkjmqesa-j
+** fybvhnzjdvuvlj-ibyujnrcsa-j
 * molecular-weight:
-** 1013.883
+** 1072.006
 == Reaction(s) known to consume the compound ==
-* [[RXN-16559]]
+* [[RXN-13298]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16559]]
+* [[RXN-13294]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(11z)-3-oxo-hexadecenoyl-coa}}
+{{#set: common-name=3-oxoicosanoyl-coa}}
-{{#set: inchi-key=inchikey=lgtvdwicxibioi-ubpkjmqesa-j}}
+{{#set: inchi-key=inchikey=fybvhnzjdvuvlj-ibyujnrcsa-j}}
-{{#set: molecular-weight=1013.883}}
+{{#set: molecular-weight=1072.006}}