Difference between revisions of "CPD0-2244"

Latest revision as of 11:11, 18 March 2021

common-name:
- (s)-3-hydroxydecanoyl-coa
smiles:
- cccccccc(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(oc(c(c1op([o-])(=o)[o-])o)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)o
inchi-key:
- hivsmyzamunfkz-pnpvfpmqsa-j
molecular-weight:
- 933.753

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8973 ==
+== Metabolite CPD0-2244 ==
 * common-name:
-** methyl parathion
+** (s)-3-hydroxydecanoyl-coa
 * smiles:
-** cop(oc1(=cc=c(c=c1)[n+](=o)[o-]))(oc)=s
+** cccccccc(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(oc(c(c1op([o-])(=o)[o-])o)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)o
 * inchi-key:
-** rlbiqvvomopohc-uhfffaoysa-n
+** hivsmyzamunfkz-pnpvfpmqsa-j
 * molecular-weight:
-** 263.204
+** 933.753
 == Reaction(s) known to consume the compound ==
-* [[RXN-8743]]
+* [[ECOAH4h]]
+* [[HACD4h]]
+* [[RXN-12490]]
 == Reaction(s) known to produce the compound ==
+* [[ECOAH4h]]
+* [[HACD4h]]
+* [[RXN-13616]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=methyl parathion}}
+{{#set: common-name=(s)-3-hydroxydecanoyl-coa}}
-{{#set: inchi-key=inchikey=rlbiqvvomopohc-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=hivsmyzamunfkz-pnpvfpmqsa-j}}
-{{#set: molecular-weight=263.204}}
+{{#set: molecular-weight=933.753}}