Difference between revisions of "E-PHENYLITACONYL-COA"

Latest revision as of 11:15, 18 March 2021

common-name:
- (e)-2-benzylidenesuccinyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(cc(=o)[o-])=cc1(c=cc=cc=1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- cizckpngzpendv-umuuvtgisa-i
molecular-weight:
- 950.677

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8608 ==
+== Metabolite E-PHENYLITACONYL-COA ==
 * common-name:
-** 4,4-dimethyl-14&alpha;-formyl-5&alpha;-cholesta-8-en-3&beta;-ol
+** (e)-2-benzylidenesuccinyl-coa
 * smiles:
-** cc(c)cccc([ch]4(c1(c)(c(c=o)(c2(=c(cc1)c3(c)([ch](cc2)c(c)(c)c(o)cc3)))cc4)))c
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(cc(=o)[o-])=cc1(c=cc=cc=1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
 * inchi-key:
-** mkmlaqlnfvfnrk-puxrvuthsa-n
+** cizckpngzpendv-umuuvtgisa-i
 * molecular-weight:
-** 442.724
+** 950.677
 == Reaction(s) known to consume the compound ==
-* [[RXN66-13]]
+* [[RXN-902]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-12]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4,4-dimethyl-14&alpha;-formyl-5&alpha;-cholesta-8-en-3&beta;-ol}}
+{{#set: common-name=(e)-2-benzylidenesuccinyl-coa}}
-{{#set: inchi-key=inchikey=mkmlaqlnfvfnrk-puxrvuthsa-n}}
+{{#set: inchi-key=inchikey=cizckpngzpendv-umuuvtgisa-i}}
-{{#set: molecular-weight=442.724}}
+{{#set: molecular-weight=950.677}}