Difference between revisions of "CPD-11523"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyhexanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccc(o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
inchi-key:
- omdqviuydjawhx-qhzcmhftsa-j
molecular-weight:
- 1027.866

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite GAMMA-BUTYROBETAINE ==
+== Metabolite CPD-11523 ==
 * common-name:
-** &gamma;-butyrobetaine
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyhexanoyl)-coa
 * smiles:
-** c[n+](cccc([o-])=o)(c)c
+** ccc=ccc1(c(ccc(=o)1)cccc(o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
 * inchi-key:
-** jhpnvniexxlntr-uhfffaoysa-n
+** omdqviuydjawhx-qhzcmhftsa-j
 * molecular-weight:
-** 145.201
+** 1027.866
 == Reaction(s) known to consume the compound ==
-* [[1.14.11.1-RXN]]
+* [[RXN-10702]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-10704]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=&gamma;-butyrobetaine}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyhexanoyl)-coa}}
-{{#set: inchi-key=inchikey=jhpnvniexxlntr-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=omdqviuydjawhx-qhzcmhftsa-j}}
-{{#set: molecular-weight=145.201}}
+{{#set: molecular-weight=1027.866}}