Difference between revisions of "CPD-31"

Revision as of 18:58, 14 January 2021

common-name:
- butanoyl-coa
smiles:
- cccc(=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:
- crfngmnykdxrtn-hdrjhvaisa-j
molecular-weight:
- 833.593

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite THZ-P ==
+== Metabolite BUTYRYL-COA ==
 * common-name:
-** 4-methyl-5-(2-phosphooxyethyl)thiazole
+** butanoyl-coa
 * smiles:
-** cc1(n=csc(ccop([o-])(=o)[o-])=1)
+** cccc(=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:
-** ocymerzcmyjqqo-uhfffaoysa-l
+** crfngmnykdxrtn-hdrjhvaisa-j
 * molecular-weight:
-** 221.167
+** 833.593
 == Reaction(s) known to consume the compound ==
-* [[THI-P-SYN-RXN]]
+* [[ACACT2h]]
+* [[ACOA40OR]]
+* [[ACOAD1f]]
+* [[RXN-12565]]
+* [[RXN-13029]]
 == Reaction(s) known to produce the compound ==
-* [[THIAZOLSYN3-RXN]]
+* [[ACOAD1f]]
+* [[ACOAR1h]]
+* [[BUTYRYL-COA-DEHYDROGENASE-RXN]]
+* [[RXN-12558]]
+* [[RXN-13029]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-methyl-5-(2-phosphooxyethyl)thiazole}}
+{{#set: common-name=butanoyl-coa}}
-{{#set: inchi-key=inchikey=ocymerzcmyjqqo-uhfffaoysa-l}}
+{{#set: inchi-key=inchikey=crfngmnykdxrtn-hdrjhvaisa-j}}
-{{#set: molecular-weight=221.167}}
+{{#set: molecular-weight=833.593}}