Difference between revisions of "CPD-19157"

Latest revision as of 11:13, 18 March 2021

common-name:
- 3-oxo-(7z)-tetradecenoyl-coa
smiles:
- ccccccc=ccccc(=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:
- bepllrgjvxaeji-twafkmgksa-j
molecular-weight:
- 985.829

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD0-2232 ==
+== Metabolite CPD-19157 ==
 * common-name:
-** (s)-3-hydroxyhexadecanoyl-coa
+** 3-oxo-(7z)-tetradecenoyl-coa
 * smiles:
-** cccccccccccccc(cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o)o
+** ccccccc=ccccc(=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:
-** dehlmtddpwdrdr-qqojfmbssa-j
+** bepllrgjvxaeji-twafkmgksa-j
 * molecular-weight:
-** 1017.914
+** 985.829
 == Reaction(s) known to consume the compound ==
-* [[ECOAH7h]]
+* [[RXN-17795]]
-* [[HACD7h]]
-* [[RXN-14271]]
 == Reaction(s) known to produce the compound ==
-* [[ECOAH7h]]
+* [[RXN-17794]]
-* [[HACD7h]]
-* [[RXN-14271]]
-* [[RXN-14272]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(s)-3-hydroxyhexadecanoyl-coa}}
+{{#set: common-name=3-oxo-(7z)-tetradecenoyl-coa}}
-{{#set: inchi-key=inchikey=dehlmtddpwdrdr-qqojfmbssa-j}}
+{{#set: inchi-key=inchikey=bepllrgjvxaeji-twafkmgksa-j}}
-{{#set: molecular-weight=1017.914}}
+{{#set: molecular-weight=985.829}}