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 3-HYDROXY-ISOVALERYL-COA ==
+== Metabolite CPD-14271 ==
 * common-name:
-** 3-hydroxyisovaleryl-coa
+** 3-oxoicosanoyl-coa
 * smiles:
-** cc(cop(=o)([o-])op(=o)([o-])occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])([o-])=o))(c)c(c(nccc(nccsc(=o)cc(c)(c)o)=o)=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:
-** pevzkilcbdeobt-uhfffaoysa-j
+** fybvhnzjdvuvlj-ibyujnrcsa-j
 * molecular-weight:
-** 863.619
+** 1072.006
 == Reaction(s) known to consume the compound ==
-* [[ECH_LPAREN_3hivcoa_RPAREN_]]
+* [[RXN-13298]]
-* [[RXN-14266]]
 == Reaction(s) known to produce the compound ==
-* [[ECH_LPAREN_3hivcoa_RPAREN_]]
+* [[RXN-13294]]
-* [[RXN-14266]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-hydroxyisovaleryl-coa}}
+{{#set: common-name=3-oxoicosanoyl-coa}}
-{{#set: inchi-key=inchikey=pevzkilcbdeobt-uhfffaoysa-j}}
+{{#set: inchi-key=inchikey=fybvhnzjdvuvlj-ibyujnrcsa-j}}
-{{#set: molecular-weight=863.619}}
+{{#set: molecular-weight=1072.006}}