Difference between revisions of "CPD0-2171"

Revision as of 14:54, 5 January 2021

common-name:
- (s)-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-vkbdfprvsa-j
molecular-weight:
- 849.593

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8774 ==
+== Metabolite S-3-HYDROXYBUTANOYL-COA ==
 * common-name:
-** 3-methylbenzaldehyde
+** (s)-3-hydroxybutanoyl-coa
 * smiles:
-** cc1(c=cc=c(c=o)c=1)
+** 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:
-** ovwyeqovudkznu-uhfffaoysa-n
+** qhhkkmyhdbrony-vkbdfprvsa-j
 * molecular-weight:
-** 120.151
+** 849.593
 == Reaction(s) known to consume the compound ==
-* [[RXN-8583]]
+* [[HACD1h]]
+* [[HBCHL]]
+* [[HBCHLm]]
+* [[HBCO]]
+* [[HBCO_LPAREN_nadp_RPAREN_]]
+* [[HBCO_LPAREN_nadp_RPAREN_m]]
+* [[RXN-11662]]
+* [[RXN-11667]]
 == Reaction(s) known to produce the compound ==
+* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
+* [[HACD1h]]
+* [[HBCHL]]
+* [[HBCHLm]]
+* [[HBCO_LPAREN_nadp_RPAREN_]]
+* [[HBCO_LPAREN_nadp_RPAREN_m]]
+* [[RXN-11662]]
+* [[RXN-11667]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-methylbenzaldehyde}}
+{{#set: common-name=(s)-3-hydroxybutanoyl-coa}}
-{{#set: inchi-key=inchikey=ovwyeqovudkznu-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=qhhkkmyhdbrony-vkbdfprvsa-j}}
-{{#set: molecular-weight=120.151}}
+{{#set: molecular-weight=849.593}}