Difference between revisions of "CPD-9038"

Latest revision as of 11:17, 18 March 2021

common-name:
- precorrin-1
smiles:
- cc3(c4(=cc5(=c(c(ccc([o-])=o)=c(cc1(=c(ccc([o-])=o)c(cc(=o)[o-])=c(n1)cc2(nc(=c(cc([o-])=o)c=2ccc([o-])=o)cc(c3ccc(=o)[o-])=n4)))n5)cc([o-])=o)))(cc([o-])=o)
inchi-key:
- cjlvuwulfkhgfb-nzcajupmsa-f
molecular-weight:
- 842.768

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14756 ==
+== Metabolite CPD-9038 ==
 * common-name:
-** methylthiobenzoate
+** precorrin-1
 * smiles:
-** csc(c1(c=cc=cc=1))=o
+** cc3(c4(=cc5(=c(c(ccc([o-])=o)=c(cc1(=c(ccc([o-])=o)c(cc(=o)[o-])=c(n1)cc2(nc(=c(cc([o-])=o)c=2ccc([o-])=o)cc(c3ccc(=o)[o-])=n4)))n5)cc([o-])=o)))(cc([o-])=o)
 * inchi-key:
-** rqvwtmcuthkgcm-uhfffaoysa-n
+** cjlvuwulfkhgfb-nzcajupmsa-f
 * molecular-weight:
-** 152.211
+** 842.768
 == Reaction(s) known to consume the compound ==
+* [[RXN-8675]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13725]]
+* [[UROPORIIIMETHYLTRANSA-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=methylthiobenzoate}}
+{{#set: common-name=precorrin-1}}
-{{#set: inchi-key=inchikey=rqvwtmcuthkgcm-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=cjlvuwulfkhgfb-nzcajupmsa-f}}
-{{#set: molecular-weight=152.211}}
+{{#set: molecular-weight=842.768}}