Difference between revisions of "K-HEXANOYL-COA"

Latest revision as of 11:17, 18 March 2021

common-name:
- 3-oxohexanoyl-coa
smiles:
- cccc(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)=o
inchi-key:
- nfoyyxqavvywkv-hdrqghtbsa-j
molecular-weight:
- 875.63

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite RS-TETRAHYDROBENZYLISOQUINOLINE ==
+== Metabolite K-HEXANOYL-COA ==
 * common-name:
-** (r,s)-tetrahydrobenzylisoquinoline
+** 3-oxohexanoyl-coa
 * smiles:
-** c3(c=cc(cc1(c2(c(cc[n+]1)=cc=cc=2)))=cc=3)
+** cccc(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)=o
 * inchi-key:
-** yrycifuzsumaay-uhfffaoysa-o
+** nfoyyxqavvywkv-hdrqghtbsa-j
 * molecular-weight:
-** 224.325
+** 875.63
 == Reaction(s) known to consume the compound ==
-* [[2.1.1.115-RXN]]
+* [[HACD2h]]
+* [[RXN-12570]]
 == Reaction(s) known to produce the compound ==
+* [[ACACT2h]]
+* [[HACD2h]]
+* [[RXN-12565]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(r,s)-tetrahydrobenzylisoquinoline}}
+{{#set: common-name=3-oxohexanoyl-coa}}
-{{#set: inchi-key=inchikey=yrycifuzsumaay-uhfffaoysa-o}}
+{{#set: inchi-key=inchikey=nfoyyxqavvywkv-hdrqghtbsa-j}}
-{{#set: molecular-weight=224.325}}
+{{#set: molecular-weight=875.63}}