Difference between revisions of "CPD-1091"

Revision as of 11:13, 15 January 2021

common-name:
- 3-hydroxyisovaleryl-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
inchi-key:
- pevzkilcbdeobt-uhfffaoysa-j
molecular-weight:
- 863.619

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-12014 ==
+== Metabolite 3-HYDROXY-ISOVALERYL-COA ==
 * common-name:
-** 6-hydroxymelatonin
+** 3-hydroxyisovaleryl-coa
 * smiles:
-** cc(=o)nccc1(=cnc2(c1=cc(oc)=c(o)c=2))
+** 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
 * inchi-key:
-** omymrcxojjzyke-uhfffaoysa-n
+** pevzkilcbdeobt-uhfffaoysa-j
 * molecular-weight:
-** 248.281
+** 863.619
 == Reaction(s) known to consume the compound ==
-* [[RXN-11058]]
+* [[ECH_LPAREN_3hivcoa_RPAREN_]]
+* [[RXN-14266]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-11056]]
+* [[ECH_LPAREN_3hivcoa_RPAREN_]]
+* [[RXN-14266]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=6-hydroxymelatonin}}
+{{#set: common-name=3-hydroxyisovaleryl-coa}}
-{{#set: inchi-key=inchikey=omymrcxojjzyke-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=pevzkilcbdeobt-uhfffaoysa-j}}
-{{#set: molecular-weight=248.281}}
+{{#set: molecular-weight=863.619}}