Difference between revisions of "CPD-19489"

Revision as of 13:10, 14 January 2021

common-name:
- 2-trans, 4-cis-undecadienoyl-coa
smiles:
- ccccccc=cc=cc(=o)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-]
inchi-key:
- szkpluulggerfd-nfpsboapsa-j
molecular-weight:
- 927.749

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
+== Metabolite CPD-15654 ==
 * common-name:
-** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
+** 2-trans, 4-cis-undecadienoyl-coa
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(c(cc([o-])=o)c(o)c1(=cc=cc=c1))=o)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-]
+** ccccccc=cc=cc(=o)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-]
 * inchi-key:
-** dvsqfplmolprdu-acxvelpgsa-i
+** szkpluulggerfd-nfpsboapsa-j
 * molecular-weight:
-** 968.692
+** 927.749
 == Reaction(s) known to consume the compound ==
-* [[RXN-905]]
+* [[RXN-14776]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-902]]
+* [[RXN-14775]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
+{{#set: common-name=2-trans, 4-cis-undecadienoyl-coa}}
-{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
+{{#set: inchi-key=inchikey=szkpluulggerfd-nfpsboapsa-j}}
-{{#set: molecular-weight=968.692}}
+{{#set: molecular-weight=927.749}}