Difference between revisions of "CPD-202"

Latest revision as of 11:17, 18 March 2021

common-name:
- choloyl-coa
smiles:
- cc(ccc(=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-])[ch]5(cc[ch]6([ch]7(c(o)c[ch]4(cc(o)ccc(c)4[ch](cc(o)c(c)56)7))))
inchi-key:
- zkwnotqhfkyunu-jgciywtlsa-j
molecular-weight:
- 1154.064

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite PHENYLACETALDEHYDE ==
+== Metabolite CPD-202 ==
 * common-name:
-** phenylacetaldehyde
+** choloyl-coa
 * smiles:
-** [ch](=o)cc1(=cc=cc=c1)
+** cc(ccc(=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-])[ch]5(cc[ch]6([ch]7(c(o)c[ch]4(cc(o)ccc(c)4[ch](cc(o)c(c)56)7))))
 * inchi-key:
-** dtuqwgwmvihbke-uhfffaoysa-n
+** zkwnotqhfkyunu-jgciywtlsa-j
 * molecular-weight:
-** 120.151
+** 1154.064
 == Reaction(s) known to consume the compound ==
-* [[RXN-7700]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10817]]
+* [[2.3.1.176-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=phenylacetaldehyde}}
+{{#set: common-name=choloyl-coa}}
-{{#set: inchi-key=inchikey=dtuqwgwmvihbke-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=zkwnotqhfkyunu-jgciywtlsa-j}}
-{{#set: molecular-weight=120.151}}
+{{#set: molecular-weight=1154.064}}