Difference between revisions of "SJ00052"

Revision as of 09:24, 27 August 2019

common-name:
- stearidonoyl-coa
smiles:
- ccc=ccc=ccc=ccc=cccccc(=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:
- ddhcsalwdprvcn-uswkvxsksa-j
molecular-weight:
- 1021.905

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ESTRONE ESTRONE] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14392 CPD-14392] ==
 * common-name:
-** estrone
+** stearidonoyl-coa
 * smiles:
-** cc12([ch](ccc(=o)1)[ch]4([ch](cc2)c3(c(=cc(o)=cc=3)cc4)))
+** ccc=ccc=ccc=ccc=cccccc(=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:
-** dnxheguupjumqt-cbzijgrnsa-n
+** ddhcsalwdprvcn-uswkvxsksa-j
 * molecular-weight:
-** 270.371
+** 1021.905
 == Reaction(s) known to consume the compound ==
-* [[ESTRADIOL-17-BETA-DEHYDROGENASE-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13426]]
+* [[RXN-16041]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=estrone}}
+{{#set: common-name=stearidonoyl-coa}}
-{{#set: inchi-key=inchikey=dnxheguupjumqt-cbzijgrnsa-n}}
+{{#set: inchi-key=inchikey=ddhcsalwdprvcn-uswkvxsksa-j}}
-{{#set: molecular-weight=270.371}}
+{{#set: molecular-weight=1021.905}}