Difference between revisions of "CPD-9459"

Latest revision as of 19:37, 17 March 2021

common-name:
- oleanolate
molecular-weight:
- 455.699
inchi-key:
- mijyxulnpsfwek-gtofxwbisa-m
smiles:
- cc3(c[ch]4(c2(=cc[ch]5(c1(ccc(c([ch]1ccc(c2(ccc(cc3)4c([o-])=o)c)5c)(c)c)o)c))))c

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 4-AMINO-4-DEOXYCHORISMATE ==
+== Metabolite CPD-9459 ==
 * common-name:
-** 4-amino-4-deoxychorismate
+** oleanolate
 * molecular-weight:
-** 224.193
+** 455.699
 * inchi-key:
-** oiujhgolfkdbsu-htqzyqbosa-m
+** mijyxulnpsfwek-gtofxwbisa-m
 * smiles:
-** c=c(c(=o)[o-])oc1(c([n+])c=cc(c([o-])=o)=c1)
+** cc3(c[ch]4(c2(=cc[ch]5(c1(ccc(c([ch]1ccc(c2(ccc(cc3)4c([o-])=o)c)5c)(c)c)o)c))))c
 == Reaction(s) known to consume the compound ==
-* [[ADCLY-RXN]]
+* [[RXN-9000]]
-* [[PABASYN-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[PABASYN-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-amino-4-deoxychorismate}}
+{{#set: common-name=oleanolate}}
-{{#set: molecular-weight=224.193}}
+{{#set: molecular-weight=455.699}}
-{{#set: inchi-key=inchikey=oiujhgolfkdbsu-htqzyqbosa-m}}
+{{#set: inchi-key=inchikey=mijyxulnpsfwek-gtofxwbisa-m}}