Difference between revisions of "CPD-17387"

Latest revision as of 11:13, 18 March 2021

common-name:
- (3s)-hydroxy-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
smiles:
- ccc=ccc=ccc=ccc=ccc=ccc=cccc(o)cc(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-])=o
inchi-key:
- jjcguwrdulvwqg-drxnpijbsa-j
molecular-weight:
- 1118.034

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8163 ==
+== Metabolite CPD-17387 ==
 * common-name:
-** 1-16:0-2-18:2-digalactosyldiacylglycerol
+** (3s)-hydroxy-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
 * smiles:
-** cccccc=ccc=ccccccccc(oc(coc2(oc(coc1(oc(co)c(o)c(o)c(o)1))c(o)c(o)c(o)2))coc(=o)ccccccccccccccc)=o
+** ccc=ccc=ccc=ccc=ccc=ccc=cccc(o)cc(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-])=o
 * inchi-key:
-** qzxmupatkglzap-gnspkctrsa-n
+** jjcguwrdulvwqg-drxnpijbsa-j
 * molecular-weight:
-** 917.225
+** 1118.034
 == Reaction(s) known to consume the compound ==
-* [[RXN-8365]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-16135]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-16:0-2-18:2-digalactosyldiacylglycerol}}
+{{#set: common-name=(3s)-hydroxy-(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa}}
-{{#set: inchi-key=inchikey=qzxmupatkglzap-gnspkctrsa-n}}
+{{#set: inchi-key=inchikey=jjcguwrdulvwqg-drxnpijbsa-j}}
-{{#set: molecular-weight=917.225}}
+{{#set: molecular-weight=1118.034}}