Difference between revisions of "LINAMARIN"

Revision as of 18:52, 14 January 2021

common-name:
- (25s)-3β-hydroxycholest-5-en-26-oate
smiles:
- cc(cccc(c(=o)[o-])c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- wvxomprlwlxfap-ddmwtqrysa-m
molecular-weight:
- 415.635

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17331 ==
+== Metabolite CPD-19072 ==
 * common-name:
-** (9z,12z,15z,18z,21z)-tetracosapentaenoyl-coa
+** (25s)-3&beta;-hydroxycholest-5-en-26-oate
 * smiles:
-** ccc=ccc=ccc=ccc=ccc=ccccccccc(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
+** cc(cccc(c(=o)[o-])c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** bnamtmvbovnnsh-afqbpcmksa-j
+** wvxomprlwlxfap-ddmwtqrysa-m
 * molecular-weight:
-** 1104.05
+** 415.635
 == Reaction(s) known to consume the compound ==
-* [[RXN-16132]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-12701]]
+* [[RXN-17654]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(9z,12z,15z,18z,21z)-tetracosapentaenoyl-coa}}
+{{#set: common-name=(25s)-3&beta;-hydroxycholest-5-en-26-oate}}
-{{#set: inchi-key=inchikey=bnamtmvbovnnsh-afqbpcmksa-j}}
+{{#set: inchi-key=inchikey=wvxomprlwlxfap-ddmwtqrysa-m}}
-{{#set: molecular-weight=1104.05}}
+{{#set: molecular-weight=415.635}}