Difference between revisions of "SJ02722"

Revision as of 09:23, 27 August 2019

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17813 CPD-17813] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-28 CPD66-28] ==
 * common-name:
-** (2e,11z)-hexadec-2,11-dienoyl-coa
+** pregn-5-ene-3,20-dione
 * smiles:
-** ccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** cc(=o)[ch]3(cc[ch]4([ch]2(cc=c1(cc(=o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** amssmxhtrodksm-fyyfncousa-j
+** mnrhzpcieglwgk-lekssakusa-n
 * molecular-weight:
-** 997.883
+** 314.467
 == Reaction(s) known to consume the compound ==
-* [[RXN-16558]]
+* [[RXN66-353]]
 == Reaction(s) known to produce the compound ==
+* [[RXN66-353]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e,11z)-hexadec-2,11-dienoyl-coa}}
+{{#set: common-name=pregn-5-ene-3,20-dione}}
-{{#set: inchi-key=inchikey=amssmxhtrodksm-fyyfncousa-j}}
+{{#set: inchi-key=inchikey=mnrhzpcieglwgk-lekssakusa-n}}
-{{#set: molecular-weight=997.883}}
+{{#set: molecular-weight=314.467}}