Difference between revisions of "CPD-19490"

Revision as of 13:11, 14 January 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-14274 ==
+== Metabolite E-PHENYLITACONYL-COA ==
 * common-name:
-** 3-oxo-cerotoyl-coa
+** (e)-2-benzylidenesuccinyl-coa
 * smiles:
-** cccccccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** 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:
-** vomuifobqmyjpj-cpigopahsa-j
+** cizckpngzpendv-umuuvtgisa-i
 * molecular-weight:
-** 1156.166
+** 950.677
 == Reaction(s) known to consume the compound ==
-* [[RXN-13301]]
+* [[RXN-902]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13296]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-cerotoyl-coa}}
+{{#set: common-name=(e)-2-benzylidenesuccinyl-coa}}
-{{#set: inchi-key=inchikey=vomuifobqmyjpj-cpigopahsa-j}}
+{{#set: inchi-key=inchikey=cizckpngzpendv-umuuvtgisa-i}}
-{{#set: molecular-weight=1156.166}}
+{{#set: molecular-weight=950.677}}