Difference between revisions of "SJ07053"

Revision as of 09:24, 27 August 2019

common-name:
- 2-carboxymethyl-3-hydroxyphenylpropanoyl-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-]
inchi-key:
- dvsqfplmolprdu-acxvelpgsa-i
molecular-weight:
- 968.692

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13575 CPD-13575] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] ==
 * common-name:
-** 2-[(2r,5z)-2-carboxy-4-methylthiazol-5(2h)-ylidene]ethyl phosphate
+** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
 * smiles:
-** cc1(c(=ccop([o-])(=o)[o-])sc(c(=o)[o-])n=1)
+** 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-]
 * inchi-key:
-** pqmcqnovnfnpfj-hyimlasbsa-k
+** dvsqfplmolprdu-acxvelpgsa-i
 * molecular-weight:
-** 264.169
+** 968.692
 == Reaction(s) known to consume the compound ==
-* [[RXN-12611]]
+* [[RXN-905]]
 == Reaction(s) known to produce the compound ==
-* [[THIAZOLSYN2-RXN]]
+* [[RXN-902]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-[(2r,5z)-2-carboxy-4-methylthiazol-5(2h)-ylidene]ethyl phosphate}}
+{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
-{{#set: inchi-key=inchikey=pqmcqnovnfnpfj-hyimlasbsa-k}}
+{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
-{{#set: molecular-weight=264.169}}
+{{#set: molecular-weight=968.692}}