Difference between revisions of "CPD-1083"

Latest revision as of 11:13, 18 March 2021

common-name:
- (e)-2-methylcrotonoyl-coa
smiles:
- cc=c(c)c(=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-]
inchi-key:
- pmwatmxoqqznbx-dkbzllmosa-j
molecular-weight:
- 845.604

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18352 ==
+== Metabolite CPD-1083 ==
 * common-name:
-** 1-palmitoyl-2-cis-vaccenoyl phosphatidate
+** (e)-2-methylcrotonoyl-coa
 * smiles:
-** ccccccc=ccccccccccc(oc(coc(=o)ccccccccccccccc)cop([o-])(=o)[o-])=o
+** cc=c(c)c(=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-]
 * inchi-key:
-** ydfkteaaiyluqp-wnhjekbpsa-l
+** pmwatmxoqqznbx-dkbzllmosa-j
 * molecular-weight:
-** 672.921
+** 845.604
 == Reaction(s) known to consume the compound ==
+* [[2-MEBUCOA-FAD-RXN]]
+* [[ECH_LPAREN_3hmbcoa_RPAREN_]]
+* [[RXN-14266]]
+* [[TIGLYLCOA-HYDROXY-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17010]]
+* [[2-MEBUCOA-FAD-RXN]]
-* [[RXN-17014]]
+* [[MCDH_LPAREN_2mb2coa_RPAREN_]]
+* [[RXN-14266]]
+* [[TIGLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-palmitoyl-2-cis-vaccenoyl phosphatidate}}
+{{#set: common-name=(e)-2-methylcrotonoyl-coa}}
-{{#set: inchi-key=inchikey=ydfkteaaiyluqp-wnhjekbpsa-l}}
+{{#set: inchi-key=inchikey=pmwatmxoqqznbx-dkbzllmosa-j}}
-{{#set: molecular-weight=672.921}}
+{{#set: molecular-weight=845.604}}