Difference between revisions of "CPD-6972"

Latest revision as of 11:12, 18 March 2021

common-name:
- 4-(2'-carboxyphenyl)-4-oxobutyryl-coa
smiles:
- cc(cop([o-])(=o)op([o-])(=o)occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])(=o)[o-]))(c)c(c(nccc(nccsc(ccc(c4(c=cc=cc(c([o-])=o)=4))=o)=o)=o)=o)o
inchi-key:
- kvaqapqxoxtrae-uhfffaoysa-i
molecular-weight:
- 966.676

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 4-HYDROXYBENZALDEHYDE ==
+== Metabolite CPD-6972 ==
 * common-name:
-** 4-hydroxybenzaldehyde
+** 4-(2'-carboxyphenyl)-4-oxobutyryl-coa
 * smiles:
-** [ch](c1(c=cc(o)=cc=1))=o
+** cc(cop([o-])(=o)op([o-])(=o)occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])(=o)[o-]))(c)c(c(nccc(nccsc(ccc(c4(c=cc=cc(c([o-])=o)=4))=o)=o)=o)=o)o
 * inchi-key:
-** rghhsnmvtdwubi-uhfffaoysa-n
+** kvaqapqxoxtrae-uhfffaoysa-i
 * molecular-weight:
-** 122.123
+** 966.676
 == Reaction(s) known to consume the compound ==
-* [[RXN-8872]]
+* [[NAPHTHOATE-SYN-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13600]]
+* [[NPHS]]
+* [[O-SUCCINYLBENZOATE-COA-LIG-RXN]]
+* [[RXN-7614]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-hydroxybenzaldehyde}}
+{{#set: common-name=4-(2'-carboxyphenyl)-4-oxobutyryl-coa}}
-{{#set: inchi-key=inchikey=rghhsnmvtdwubi-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=kvaqapqxoxtrae-uhfffaoysa-i}}
-{{#set: molecular-weight=122.123}}
+{{#set: molecular-weight=966.676}}