Difference between revisions of "CPD-7002"

Revision as of 15:26, 5 January 2021

common-name:
- (s)-3-hydroxyhexadecanoyl-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
inchi-key:
- dehlmtddpwdrdr-qqojfmbssa-j
molecular-weight:
- 1017.914

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7158 ==
+== Metabolite CPD0-2232 ==
 * common-name:
-** 3-demethylubiquinol-9
+** (s)-3-hydroxyhexadecanoyl-coa
 * smiles:
-** cc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=ccc1(=c(c)c(o)=c(o)c(oc)=c(o)1)
+** 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
 * inchi-key:
-** alajatogwwbpqt-nscwjznlsa-n
+** dehlmtddpwdrdr-qqojfmbssa-j
 * molecular-weight:
-** 783.228
+** 1017.914
 == Reaction(s) known to consume the compound ==
-* [[2.1.1.64-RXN]]
+* [[ECOAH7h]]
+* [[HACD7h]]
+* [[RXN-14271]]
 == Reaction(s) known to produce the compound ==
+* [[ECOAH7h]]
+* [[HACD7h]]
+* [[RXN-14271]]
+* [[RXN-14272]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-demethylubiquinol-9}}
+{{#set: common-name=(s)-3-hydroxyhexadecanoyl-coa}}
-{{#set: inchi-key=inchikey=alajatogwwbpqt-nscwjznlsa-n}}
+{{#set: inchi-key=inchikey=dehlmtddpwdrdr-qqojfmbssa-j}}
-{{#set: molecular-weight=783.228}}
+{{#set: molecular-weight=1017.914}}