Difference between revisions of "CPD-13695"

Latest revision as of 19:37, 17 March 2021

common-name:
- 3,24-dioxocholest-4-en-26-oyl-coa
molecular-weight:
- 1174.098
inchi-key:
- zvfuugbgzmbuan-kznrqmkssa-j
smiles:
- cc(ccc(=o)c(c(=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-])c)[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite ADENOSYLCOBINAMIDE ==
+== Metabolite CPD-13695 ==
 * common-name:
-** adenosylcobinamide
+** 3,24-dioxocholest-4-en-26-oyl-coa
 * molecular-weight:
-** 1240.332
+** 1174.098
 * inchi-key:
-** kqxspgaebzwhmc-qmuwongrsa-m
+** zvfuugbgzmbuan-kznrqmkssa-j
 * smiles:
-** cc(o)cnc(=o)ccc5(c)(c(cc(=o)n)c7(c%11(c)(c(c)(cc(n)=o)c(ccc(n)=o)c1(=[n+]([co--]26([n+]4(c(=cc3(c(ccc(n)=o)c(c)(cc(n)=o)c(=c(c)1)[n+]2=3))c(c)(c)c(ccc(n)=o)c=4c(c)=c5n67))(cc8(c(c(o)c(o8)n9(c=nc%10(=c9n=cn=c%10n)))o)))%11))))
+** cc(ccc(=o)c(c(=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-])c)[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[BTUR2-RXN]]
+* [[RXN-12705]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=adenosylcobinamide}}
+{{#set: common-name=3,24-dioxocholest-4-en-26-oyl-coa}}
-{{#set: molecular-weight=1240.332}}
+{{#set: molecular-weight=1174.098}}
-{{#set: inchi-key=inchikey=kqxspgaebzwhmc-qmuwongrsa-m}}
+{{#set: inchi-key=inchikey=zvfuugbgzmbuan-kznrqmkssa-j}}