Difference between revisions of "CPD-18492"

Latest revision as of 11:15, 18 March 2021

common-name:
- (2e,6z,9z,12z,15z,18z)-tetracosahexaenoyl-coa
smiles:
- cccccc=ccc=ccc=ccc=ccc=cccc=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:
- uyokhwfeuajfmg-uiyhdvlfsa-j
molecular-weight:
- 1102.034

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15189 ==
+== Metabolite CPD-18492 ==
 * common-name:
-** chenodeoxycholate
+** (2e,6z,9z,12z,15z,18z)-tetracosahexaenoyl-coa
 * smiles:
-** cc(ccc(=o)[o-])[ch]2(cc[ch]3([ch]4(c(o)c[ch]1(cc(o)ccc(c)1[ch](ccc(c)23)4))))
+** cccccc=ccc=ccc=ccc=ccc=cccc=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:
-** rudatbohqwojdd-bswaidmhsa-m
+** uyokhwfeuajfmg-uiyhdvlfsa-j
 * molecular-weight:
-** 391.57
+** 1102.034
 == Reaction(s) known to consume the compound ==
-* [[RXN-16033]]
+* [[RXN-17114]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17113]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=chenodeoxycholate}}
+{{#set: common-name=(2e,6z,9z,12z,15z,18z)-tetracosahexaenoyl-coa}}
-{{#set: inchi-key=inchikey=rudatbohqwojdd-bswaidmhsa-m}}
+{{#set: inchi-key=inchikey=uyokhwfeuajfmg-uiyhdvlfsa-j}}
-{{#set: molecular-weight=391.57}}
+{{#set: molecular-weight=1102.034}}