Difference between revisions of "SE-2"

Revision as of 13:10, 14 January 2021

common-name:
- (6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
smiles:
- ccc=ccc=ccc=ccc=ccc=ccc=cccccc(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:
- krifzirxaaithr-kwfbmmabsa-j
molecular-weight:
- 1102.034

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15654 ==
+== Metabolite CPD-17385 ==
 * common-name:
-** 2-trans, 4-cis-undecadienoyl-coa
+** (6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
 * smiles:
-** ccccccc=cc=cc(=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-]
+** ccc=ccc=ccc=ccc=ccc=ccc=cccccc(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:
-** szkpluulggerfd-nfpsboapsa-j
+** krifzirxaaithr-kwfbmmabsa-j
 * molecular-weight:
-** 927.749
+** 1102.034
 == Reaction(s) known to consume the compound ==
-* [[RXN-14776]]
+* [[RXN-16134]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14775]]
+* [[RXN-16132]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-trans, 4-cis-undecadienoyl-coa}}
+{{#set: common-name=(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa}}
-{{#set: inchi-key=inchikey=szkpluulggerfd-nfpsboapsa-j}}
+{{#set: inchi-key=inchikey=krifzirxaaithr-kwfbmmabsa-j}}
-{{#set: molecular-weight=927.749}}
+{{#set: molecular-weight=1102.034}}