Difference between revisions of "CPD-10254"

Latest revision as of 11:12, 18 March 2021

common-name:
- (9z,12z)-hexadeca-9,12-dienoyl-coa
smiles:
- cccc=ccc=ccccccccc(=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-]
inchi-key:
- cqxsjfxwargobe-pcrjdaltsa-j
molecular-weight:
- 997.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite EPISTEROL ==
+== Metabolite CPD-10254 ==
 * common-name:
-** episterol
+** (9z,12z)-hexadeca-9,12-dienoyl-coa
 * smiles:
-** cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(=cc[ch]1(cc(o)ccc(c)1c2ccc(c)34))))
+** cccc=ccc=ccccccccc(=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-]
 * inchi-key:
-** btcaeoldeypgge-lpwclqgbsa-n
+** cqxsjfxwargobe-pcrjdaltsa-j
 * molecular-weight:
-** 398.671
+** 997.883
 == Reaction(s) known to consume the compound ==
-* [[RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.]]
-* [[RXN3O-218]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.]]
+* [[RXN-9616]]
-* [[RXN3O-203]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=episterol}}
+{{#set: common-name=(9z,12z)-hexadeca-9,12-dienoyl-coa}}
-{{#set: inchi-key=inchikey=btcaeoldeypgge-lpwclqgbsa-n}}
+{{#set: inchi-key=inchikey=cqxsjfxwargobe-pcrjdaltsa-j}}
-{{#set: molecular-weight=398.671}}
+{{#set: molecular-weight=997.883}}