Difference between revisions of "CPD-5821"

Revision as of 13:11, 14 January 2021

common-name:
- (24r,25r)-3α,7α,24-trihydroxy-5β-cholestanoyl coa
smiles:
- cc(ccc(o)c(c)c(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-])=o)[ch]4(cc[ch]5(c(c)4cc[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
inchi-key:
- szbmuaijwnjarr-uizkvwqnsa-j
molecular-weight:
- 1196.145

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite NARINGENIN-CMPD ==
+== Metabolite CPD-10590 ==
 * common-name:
-** (2s)-naringenin
+** (24r,25r)-3&alpha;,7&alpha;,24-trihydroxy-5&beta;-cholestanoyl coa
 * smiles:
-** c3(=c(c2(oc1(c(=c(c=c(c=1)o)o)c(c2)=o)))c=cc(=c3)o)
+** cc(ccc(o)c(c)c(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-])=o)[ch]4(cc[ch]5(c(c)4cc[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
 * inchi-key:
-** ftvwirxfelqlpi-zdusscgksa-n
+** szbmuaijwnjarr-uizkvwqnsa-j
 * molecular-weight:
-** 272.257
+** 1196.145
 == Reaction(s) known to consume the compound ==
-* [[NARINGENIN-3-DIOXYGENASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[APIGNAR-RXN]]
+* [[RXN-9847]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2s)-naringenin}}
+{{#set: common-name=(24r,25r)-3&alpha;,7&alpha;,24-trihydroxy-5&beta;-cholestanoyl coa}}
-{{#set: inchi-key=inchikey=ftvwirxfelqlpi-zdusscgksa-n}}
+{{#set: inchi-key=inchikey=szbmuaijwnjarr-uizkvwqnsa-j}}
-{{#set: molecular-weight=272.257}}
+{{#set: molecular-weight=1196.145}}