Difference between revisions of "CPD1G-332"

Latest revision as of 11:17, 18 March 2021

common-name:
- 2-carboxy-cerotoyl-coa
smiles:
- ccccccccccccccccccccccccc(c([o-])=o)c(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
inchi-key:
- vuydekmwdhlssi-rvnpwdolsa-i
molecular-weight:
- 1185.185

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9038 ==
+== Metabolite CPD1G-332 ==
 * common-name:
-** precorrin-1
+** 2-carboxy-cerotoyl-coa
 * 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)
+** ccccccccccccccccccccccccc(c([o-])=o)c(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
 * inchi-key:
-** cjlvuwulfkhgfb-nzcajupmsa-f
+** vuydekmwdhlssi-rvnpwdolsa-i
 * molecular-weight:
-** 842.768
+** 1185.185
 == Reaction(s) known to consume the compound ==
-* [[RXN-8675]]
 == Reaction(s) known to produce the compound ==
-* [[UROPORIIIMETHYLTRANSA-RXN]]
+* [[RXN1G-4355]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=precorrin-1}}
+{{#set: common-name=2-carboxy-cerotoyl-coa}}
-{{#set: inchi-key=inchikey=cjlvuwulfkhgfb-nzcajupmsa-f}}
+{{#set: inchi-key=inchikey=vuydekmwdhlssi-rvnpwdolsa-i}}
-{{#set: molecular-weight=842.768}}
+{{#set: molecular-weight=1185.185}}