Difference between revisions of "P124-PWY"

Revision as of 09:22, 27 August 2019

common-name:
- 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
smiles:
- c(sc2(cc1(=cc=cc=c1))(nc(=o)c(scc(c(ncc([o-])=o)=o)[n+])(co)nc(=o)2))c(c(ncc([o-])=o)=o)[n+]
inchi-key:
- chbulttudaiwdp-hcihmxrssa-n
molecular-weight:
- 586.634

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLYL_MANDELATE VANILLYL_MANDELATE] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17047 CPD-17047] ==
 * common-name:
-** vanillyl mandelate
+** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
 * smiles:
-** coc1(c(o)=cc=c(c=1)c(o)c(=o)[o-])
+** c(sc2(cc1(=cc=cc=c1))(nc(=o)c(scc(c(ncc([o-])=o)=o)[n+])(co)nc(=o)2))c(c(ncc([o-])=o)=o)[n+]
 * inchi-key:
-** cgqcwmiaepehnq-mrvpvssysa-m
+** chbulttudaiwdp-hcihmxrssa-n
 * molecular-weight:
-** 197.167
+** 586.634
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-10917]]
+* [[RXN-15681]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=vanillyl mandelate}}
+{{#set: common-name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine}}
-{{#set: inchi-key=inchikey=cgqcwmiaepehnq-mrvpvssysa-m}}
+{{#set: inchi-key=inchikey=chbulttudaiwdp-hcihmxrssa-n}}
-{{#set: molecular-weight=197.167}}
+{{#set: molecular-weight=586.634}}