Difference between revisions of "DUDP"

Revision as of 15:26, 5 January 2021

common-name:
- (25s)-26-oxocholesterol
smiles:
- cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- jugxqejpwdyojv-vicxtrefsa-n
molecular-weight:
- 400.643

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD1G-277 ==
+== Metabolite CPD-19071 ==
 * common-name:
-** cerotoyl-coa
+** (25s)-26-oxocholesterol
 * smiles:
-** cccccccccccccccccccccccccc(=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([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** fhlyyfpjdvywqh-cpigopahsa-j
+** jugxqejpwdyojv-vicxtrefsa-n
 * molecular-weight:
-** 1142.183
+** 400.643
 == Reaction(s) known to consume the compound ==
-* [[RXN1G-4355]]
+* [[RXN-17654]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17653]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=cerotoyl-coa}}
+{{#set: common-name=(25s)-26-oxocholesterol}}
-{{#set: inchi-key=inchikey=fhlyyfpjdvywqh-cpigopahsa-j}}
+{{#set: inchi-key=inchikey=jugxqejpwdyojv-vicxtrefsa-n}}
-{{#set: molecular-weight=1142.183}}
+{{#set: molecular-weight=400.643}}