Difference between revisions of "CPD-18346"

Latest revision as of 11:17, 18 March 2021

common-name:
- cis-vaccenoyl-coa
smiles:
- ccccccc=ccccccccccc(=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:
- hejoxxlscaqqgq-saiinbspsa-j
molecular-weight:
- 1027.953

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14756 ==
+== Metabolite CPD-18346 ==
 * common-name:
-** methylthiobenzoate
+** cis-vaccenoyl-coa
 * smiles:
-** csc(c1(c=cc=cc=1))=o
+** ccccccc=ccccccccccc(=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:
-** rqvwtmcuthkgcm-uhfffaoysa-n
+** hejoxxlscaqqgq-saiinbspsa-j
 * molecular-weight:
-** 152.211
+** 1027.953
 == Reaction(s) known to consume the compound ==
+* [[FACOAE18111Z]]
+* [[RXN-17010]]
+* [[RXN-17011]]
+* [[RXN-17784]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13725]]
+* [[FACOAL18111Z]]
+* [[RXN0-7238]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=methylthiobenzoate}}
+{{#set: common-name=cis-vaccenoyl-coa}}
-{{#set: inchi-key=inchikey=rqvwtmcuthkgcm-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=hejoxxlscaqqgq-saiinbspsa-j}}
-{{#set: molecular-weight=152.211}}
+{{#set: molecular-weight=1027.953}}