Difference between revisions of "CPD-202"

Revision as of 18:59, 14 January 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 CPD-17346 ==
+== Metabolite K-HEXANOYL-COA ==
 * common-name:
-** 3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa
+** 3-oxohexanoyl-coa
 * smiles:
-** cccccc=ccc=ccccccccc(=o)cc(=o)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-]
+** 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:
-** puwduocpcwfefg-ygyqdceasa-j
+** nfoyyxqavvywkv-hdrqghtbsa-j
 * molecular-weight:
-** 1067.974
+** 875.63
 == Reaction(s) known to consume the compound ==
-* [[RXN-16095]]
+* [[HACD2h]]
+* [[RXN-12570]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16094]]
+* [[ACACT2h]]
+* [[HACD2h]]
+* [[RXN-12565]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa}}
+{{#set: common-name=3-oxohexanoyl-coa}}
-{{#set: inchi-key=inchikey=puwduocpcwfefg-ygyqdceasa-j}}
+{{#set: inchi-key=inchikey=nfoyyxqavvywkv-hdrqghtbsa-j}}
-{{#set: molecular-weight=1067.974}}
+{{#set: molecular-weight=875.63}}