Difference between revisions of "CPD-4822"

Revision as of 08:28, 15 March 2021

common-name:
- (3s)-hydroxy-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa
smiles:
- cccccc=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:
- nneppynerzejee-vugypbmhsa-j
molecular-weight:
- 1120.05

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-10664 ==
+== Metabolite CPD-18493 ==
 * common-name:
-** 5-methylsalicylate
+** (3s)-hydroxy-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa
 * smiles:
-** cc1(=cc(=c(c=c1)o)c([o-])=o)
+** cccccc=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:
-** dlgbegbhxsaqoc-uhfffaoysa-m
+** nneppynerzejee-vugypbmhsa-j
 * molecular-weight:
-** 151.141
+** 1120.05
 == Reaction(s) known to consume the compound ==
-* [[RXN-10079]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17114]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-methylsalicylate}}
+{{#set: common-name=(3s)-hydroxy-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa}}
-{{#set: inchi-key=inchikey=dlgbegbhxsaqoc-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=nneppynerzejee-vugypbmhsa-j}}
-{{#set: molecular-weight=151.141}}
+{{#set: molecular-weight=1120.05}}