Difference between revisions of "HOMO-I-CIT"

Revision as of 08:26, 15 March 2021

common-name:
- 14-oxolanosterol
smiles:
- cc(c)=cccc([ch]1(c2(c)(c(c=o)(cc1)c4(=c(cc2)c3([ch](c(c)(c)c(o)cc3)cc4)(c)))))c
inchi-key:
- pggimliqohyfis-puxrvuthsa-n
molecular-weight:
- 440.708

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9865 ==
+== Metabolite CPD-4573 ==
 * common-name:
-** 6-(all-trans-decaprenyl)-2-methoxy-phenol
+** 14-oxolanosterol
 * smiles:
-** cc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=ccc1(c(o)=c(oc)c=cc=1))c)c)c)c)c)c)c)c)c)c
+** cc(c)=cccc([ch]1(c2(c)(c(c=o)(cc1)c4(=c(cc2)c3([ch](c(c)(c)c(o)cc3)cc4)(c)))))c
 * inchi-key:
-** fyllwsgfaaqkhu-gbbrockzsa-n
+** pggimliqohyfis-puxrvuthsa-n
 * molecular-weight:
-** 805.321
+** 440.708
 == Reaction(s) known to consume the compound ==
+* [[RXN66-305]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-9233]]
+* [[RXN66-304]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=6-(all-trans-decaprenyl)-2-methoxy-phenol}}
+{{#set: common-name=14-oxolanosterol}}
-{{#set: inchi-key=inchikey=fyllwsgfaaqkhu-gbbrockzsa-n}}
+{{#set: inchi-key=inchikey=pggimliqohyfis-puxrvuthsa-n}}
-{{#set: molecular-weight=805.321}}
+{{#set: molecular-weight=440.708}}