Difference between revisions of "Palmitoyl-ACPs"

Revision as of 08:31, 15 March 2021

common-name:
- (2s)-ethylmalonyl-coa
smiles:
- ccc(c(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)c([o-])=o
inchi-key:
- vugzqvcbbbezqe-uqcjfraesa-i
molecular-weight:
- 876.595

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-10261 ==
+== Metabolite CPD-9406 ==
 * common-name:
-** (3r)-3-hydroxy-stearoyl-coa
+** (2s)-ethylmalonyl-coa
 * smiles:
-** cccccccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** ccc(c(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)c([o-])=o
 * inchi-key:
-** wzmaiegyxcoysh-mkpujkmasa-j
+** vugzqvcbbbezqe-uqcjfraesa-i
 * molecular-weight:
-** 1045.968
+** 876.595
 == Reaction(s) known to consume the compound ==
-* [[RXN-9545]]
+* [[RXN-13029]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13029]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r)-3-hydroxy-stearoyl-coa}}
+{{#set: common-name=(2s)-ethylmalonyl-coa}}
-{{#set: inchi-key=inchikey=wzmaiegyxcoysh-mkpujkmasa-j}}
+{{#set: inchi-key=inchikey=vugzqvcbbbezqe-uqcjfraesa-i}}
-{{#set: molecular-weight=1045.968}}
+{{#set: molecular-weight=876.595}}