Difference between revisions of "CPD-1083"

Revision as of 13:09, 14 January 2021

common-name:
- cerotoyl-coa
smiles:
- cccccccccccccccccccccccccc(=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
inchi-key:
- fhlyyfpjdvywqh-cpigopahsa-j
molecular-weight:
- 1142.183

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18352 ==
+== Metabolite CPD1G-277 ==
 * common-name:
-** 1-palmitoyl-2-cis-vaccenoyl phosphatidate
+** cerotoyl-coa
 * smiles:
-** ccccccc=ccccccccccc(oc(coc(=o)ccccccccccccccc)cop([o-])(=o)[o-])=o
+** cccccccccccccccccccccccccc(=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
 * inchi-key:
-** ydfkteaaiyluqp-wnhjekbpsa-l
+** fhlyyfpjdvywqh-cpigopahsa-j
 * molecular-weight:
-** 672.921
+** 1142.183
 == Reaction(s) known to consume the compound ==
+* [[RXN1G-4355]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17010]]
-* [[RXN-17014]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-palmitoyl-2-cis-vaccenoyl phosphatidate}}
+{{#set: common-name=cerotoyl-coa}}
-{{#set: inchi-key=inchikey=ydfkteaaiyluqp-wnhjekbpsa-l}}
+{{#set: inchi-key=inchikey=fhlyyfpjdvywqh-cpigopahsa-j}}
-{{#set: molecular-weight=672.921}}
+{{#set: molecular-weight=1142.183}}