Difference between revisions of "CPD-15692"

Latest revision as of 11:11, 18 March 2021

common-name:
- (3e)-dec-3-enoyl-coa
smiles:
- ccccccc=ccc(=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:
- cqgvnmqhzqjnii-zjzqahhtsa-j
molecular-weight:
- 915.738

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-514 ==
+== Metabolite CPD-15692 ==
 * common-name:
-** 3-oxo-3-phenylpropanoyl-coa
+** (3e)-dec-3-enoyl-coa
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=cc=cc=c1))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-]
+** ccccccc=ccc(=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:
-** nhdpiyiccbknnj-fueukbnzsa-j
+** cqgvnmqhzqjnii-zjzqahhtsa-j
 * molecular-weight:
-** 909.648
+** 915.738
 == Reaction(s) known to consume the compound ==
-* [[RXN-2006]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-14803]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-3-phenylpropanoyl-coa}}
+{{#set: common-name=(3e)-dec-3-enoyl-coa}}
-{{#set: inchi-key=inchikey=nhdpiyiccbknnj-fueukbnzsa-j}}
+{{#set: inchi-key=inchikey=cqgvnmqhzqjnii-zjzqahhtsa-j}}
-{{#set: molecular-weight=909.648}}
+{{#set: molecular-weight=915.738}}