Difference between revisions of "CPD-18390"

Revision as of 11:13, 15 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11524 ==
+== Metabolite EPISTEROL ==
 * common-name:
-** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
+** episterol
 * smiles:
-** ccc=ccc1(c(ccc(=o)1)cccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
+** cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(=cc[ch]1(cc(o)ccc(c)1c2ccc(c)34))))
 * inchi-key:
-** adgirvmshggghu-azvxsvfwsa-j
+** btcaeoldeypgge-lpwclqgbsa-n
 * molecular-weight:
-** 1025.85
+** 398.671
 == Reaction(s) known to consume the compound ==
-* [[RXN-10700]]
+* [[RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.]]
+* [[RXN3O-218]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10702]]
+* [[RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.]]
+* [[RXN3O-203]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa}}
+{{#set: common-name=episterol}}
-{{#set: inchi-key=inchikey=adgirvmshggghu-azvxsvfwsa-j}}
+{{#set: inchi-key=inchikey=btcaeoldeypgge-lpwclqgbsa-n}}
-{{#set: molecular-weight=1025.85}}
+{{#set: molecular-weight=398.671}}