Difference between revisions of "CPD-19155"

Revision as of 15:28, 5 January 2021

common-name:
- (3r)-3-hydroxybutanoyl-coa
smiles:
- cc(cc(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)o
inchi-key:
- qhhkkmyhdbrony-wzzmxtmrsa-j
molecular-weight:
- 849.593

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-SULFINOALANINE ==
+== Metabolite CPD-650 ==
 * common-name:
-** 3-sulfinoalanine
+** (3r)-3-hydroxybutanoyl-coa
 * smiles:
-** c(c([n+])c(=o)[o-])s([o-])=o
+** cc(cc(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)o
 * inchi-key:
-** advptqaunprnpo-reohclbhsa-m
+** qhhkkmyhdbrony-wzzmxtmrsa-j
 * molecular-weight:
-** 152.145
+** 849.593
 == Reaction(s) known to consume the compound ==
-* [[3-SULFINOALANINE-AMINOTRANSFERASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[3-SULFINOALANINE-AMINOTRANSFERASE-RXN]]
+* [[RXN-5901]]
-* [[CYSTEINE-DIOXYGENASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-sulfinoalanine}}
+{{#set: common-name=(3r)-3-hydroxybutanoyl-coa}}
-{{#set: inchi-key=inchikey=advptqaunprnpo-reohclbhsa-m}}
+{{#set: inchi-key=inchikey=qhhkkmyhdbrony-wzzmxtmrsa-j}}
-{{#set: molecular-weight=152.145}}
+{{#set: molecular-weight=849.593}}