Difference between revisions of "CPD0-2171"

Latest revision as of 11:12, 18 March 2021

common-name:
- (s)-3-hydroxytetradecanoyl-coa
smiles:
- cccccccccccc(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:
- oxbhkmhndgrdcz-stlsenowsa-j
molecular-weight:
- 989.861

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8774 ==
+== Metabolite CPD0-2171 ==
 * common-name:
-** 3-methylbenzaldehyde
+** (s)-3-hydroxytetradecanoyl-coa
 * smiles:
-** cc1(c=cc=c(c=o)c=1)
+** cccccccccccc(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:
-** ovwyeqovudkznu-uhfffaoysa-n
+** oxbhkmhndgrdcz-stlsenowsa-j
 * molecular-weight:
-** 120.151
+** 989.861
 == Reaction(s) known to consume the compound ==
-* [[RXN-8583]]
+* [[ECOAH6h]]
+* [[HACD6h]]
+* [[RXN-12507]]
 == Reaction(s) known to produce the compound ==
+* [[ECOAH6h]]
+* [[HACD6h]]
+* [[RXN-14273]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-methylbenzaldehyde}}
+{{#set: common-name=(s)-3-hydroxytetradecanoyl-coa}}
-{{#set: inchi-key=inchikey=ovwyeqovudkznu-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=oxbhkmhndgrdcz-stlsenowsa-j}}
-{{#set: molecular-weight=120.151}}
+{{#set: molecular-weight=989.861}}