Difference between revisions of "CPD-12365"

Revision as of 18:53, 14 January 2021

common-name:
- 24-hydroxy-3-oxocholest-4-en-26-oyl-coa
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))))
inchi-key:
- lpapcixieiqrqa-oqrfgcrrsa-j
molecular-weight:
- 1176.114

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD1F-139 ==
+== Metabolite CPD-13694 ==
 * common-name:
-** gibberellin a1
+** 24-hydroxy-3-oxocholest-4-en-26-oyl-coa
 * smiles:
-** c=c1(c3(o)(cc4(c1)(c([ch]5(c2(c(=o)oc(ccc(o)2)([ch](cc3)4)5)(c)))c([o-])=o)))
+** 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))))
 * inchi-key:
-** jljlrlwoemwyqk-sntjwbgvsa-m
+** lpapcixieiqrqa-oqrfgcrrsa-j
 * molecular-weight:
-** 347.387
+** 1176.114
 == Reaction(s) known to consume the compound ==
-* [[RXN-115]]
+* [[RXN-12705]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=gibberellin a1}}
+{{#set: common-name=24-hydroxy-3-oxocholest-4-en-26-oyl-coa}}
-{{#set: inchi-key=inchikey=jljlrlwoemwyqk-sntjwbgvsa-m}}
+{{#set: inchi-key=inchikey=lpapcixieiqrqa-oqrfgcrrsa-j}}
-{{#set: molecular-weight=347.387}}
+{{#set: molecular-weight=1176.114}}