Difference between revisions of "CPD-12199"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=c1))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:
- vddfxumtxcqmfm-ugdqnksbsa-j
molecular-weight:
- 927.663

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite MG-PROTOPORPHYRIN-MONOMETHYL-ESTER ==
+== Metabolite CPD-12199 ==
+* common-name:
+** 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
 * smiles:
-** c=cc2(c(c)=c4(c=c8(c(c)=c(ccc(=o)[o-])c7(=n([mg]35(n1(=c(c(c=c)=c(c)c1=cc=2n34)c=c6(c(c)=c(ccc(=o)oc)c(n56)=c7))))8))))
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=c1))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-]
-* common-name:
+* inchi-key:
-** magnesium-protoporphyrin ix 13-monomethyl ester
+** vddfxumtxcqmfm-ugdqnksbsa-j
 * molecular-weight:
-** 597.975
+** 927.663
 == Reaction(s) known to consume the compound ==
+* [[RXN-11245]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-MG-PROTOPORPHYRIN-METHYLESTER-SYN]]
+* [[RXN-11244]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=magnesium-protoporphyrin ix 13-monomethyl ester}}
+{{#set: common-name=3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa}}
-{{#set: molecular-weight=597.975}}
+{{#set: inchi-key=inchikey=vddfxumtxcqmfm-ugdqnksbsa-j}}
+{{#set: molecular-weight=927.663}}