Difference between revisions of "CPD-17402"

Latest revision as of 11:11, 18 March 2021

common-name:
- (3r)-hydroxy-auricoloyl-coa
smiles:
- ccc=cccc(o)cc=ccccccccc(o)cc(=o)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-]
inchi-key:
- xtsclycoojhttr-ktfrusdtsa-j
molecular-weight:
- 1085.989

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite DETHIOBIOTIN ==
+== Metabolite CPD-17402 ==
 * common-name:
-** dethiobiotin
+** (3r)-hydroxy-auricoloyl-coa
 * smiles:
-** cc1(nc(=o)nc1cccccc(=o)[o-])
+** ccc=cccc(o)cc=ccccccccc(o)cc(=o)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-]
 * inchi-key:
-** autolbmxddtrrt-uhfffaoysa-m
+** xtsclycoojhttr-ktfrusdtsa-j
 * molecular-weight:
-** 213.256
+** 1085.989
 == Reaction(s) known to consume the compound ==
-* [[2.8.1.6-RXN]]
+* [[RXN-16155]]
-* [[RXN-17472]]
 == Reaction(s) known to produce the compound ==
-* [[DETHIOBIOTIN-SYN-RXN]]
+* [[RXN-16154]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=dethiobiotin}}
+{{#set: common-name=(3r)-hydroxy-auricoloyl-coa}}
-{{#set: inchi-key=inchikey=autolbmxddtrrt-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=xtsclycoojhttr-ktfrusdtsa-j}}
-{{#set: molecular-weight=213.256}}
+{{#set: molecular-weight=1085.989}}