Difference between revisions of "CPD-14283"

Latest revision as of 11:12, 18 March 2021

common-name:
- trans-cerot-2-enoyl-coa
smiles:
- cccccccccccccccccccccccc=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
inchi-key:
- gguuxbbwtgiige-kesudtcvsa-j
molecular-weight:
- 1140.167

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13888 ==
+== Metabolite CPD-14283 ==
 * common-name:
-** (25s)-26-oxocholest-4-en-3-one
+** trans-cerot-2-enoyl-coa
 * smiles:
-** cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
+** cccccccccccccccccccccccc=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
 * inchi-key:
-** bggfpzprxrjkgg-nyjsjaolsa-n
+** gguuxbbwtgiige-kesudtcvsa-j
 * molecular-weight:
-** 398.628
+** 1140.167
 == Reaction(s) known to consume the compound ==
-* [[RXN-12849]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12850]]
+* [[RXN-13305]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(25s)-26-oxocholest-4-en-3-one}}
+{{#set: common-name=trans-cerot-2-enoyl-coa}}
-{{#set: inchi-key=inchikey=bggfpzprxrjkgg-nyjsjaolsa-n}}
+{{#set: inchi-key=inchikey=gguuxbbwtgiige-kesudtcvsa-j}}
-{{#set: molecular-weight=398.628}}
+{{#set: molecular-weight=1140.167}}