Difference between revisions of "CPD0-2244"

Latest revision as of 11:11, 18 March 2021

common-name:
- (s)-3-hydroxydecanoyl-coa
smiles:
- cccccccc(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(oc(c(c1op([o-])(=o)[o-])o)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)o
inchi-key:
- hivsmyzamunfkz-pnpvfpmqsa-j
molecular-weight:
- 933.753

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite TRANS-23-DEHYDROADIPYL-COA ==
+== Metabolite CPD0-2244 ==
 * common-name:
-** trans-2,3-dehydroadipyl-coa
+** (s)-3-hydroxydecanoyl-coa
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(c=cccc(=o)[o-])=o)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-]
+** cccccccc(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(oc(c(c1op([o-])(=o)[o-])o)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)o
 * inchi-key:
-** zfxickrxpztfpb-kcqrsjhasa-i
+** hivsmyzamunfkz-pnpvfpmqsa-j
 * molecular-weight:
-** 888.606
+** 933.753
 == Reaction(s) known to consume the compound ==
-* [[RXN-2425]]
+* [[ECOAH4h]]
+* [[HACD4h]]
+* [[RXN-12490]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-2425]]
+* [[ECOAH4h]]
+* [[HACD4h]]
+* [[RXN-13616]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=trans-2,3-dehydroadipyl-coa}}
+{{#set: common-name=(s)-3-hydroxydecanoyl-coa}}
-{{#set: inchi-key=inchikey=zfxickrxpztfpb-kcqrsjhasa-i}}
+{{#set: inchi-key=inchikey=hivsmyzamunfkz-pnpvfpmqsa-j}}
-{{#set: molecular-weight=888.606}}
+{{#set: molecular-weight=933.753}}