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CHEBI:28673 - 3-oxopropanoyl-CoA

ChEBI IDCHEBI:28673
ChEBI Name3-oxopropanoyl-CoA
Stars
DefinitionAn acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxopropanoic acid.
Secondary ChEBI IDsCHEBI:1652, CHEBI:20181
Last Modified22 April 2015
DownloadsMolfile
FormulaC24H38N7O18P3S
Net Charge0
Average Mass837.588
Monoisotopic Mass837.12069
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC=O
InChIInChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1
InChIKeyNMEYBPUHJHMRHU-IEXPHMLFSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-oxopropanoyl-CoA (CHEBI:28673) has functional parent 3-oxopropanoic acid (CHEBI:17960)
3-oxopropanoyl-CoA (CHEBI:28673) is a propanoyl-CoAs (CHEBI:26296)
3-oxopropanoyl-CoA (CHEBI:28673) is conjugate acid of 3-oxopropanoyl-CoA(4−) (CHEBI:84996)
Incoming Relation(s)
3-oxopropanoyl-CoA(4−) (CHEBI:84996) is conjugate base of 3-oxopropanoyl-CoA (CHEBI:28673)
Synonyms  Source
3-Oxopropionyl-CoAKEGG COMPOUND
Malonyl semialdehyde-CoAKEGG COMPOUND
3-oxopropanoyl-coenzyme AChEBI
Manual XrefsDatabases
C05989KEGG COMPOUND
CPD-17259MetaCyc
Registry NumbersSources
Reaxys:78199Reaxys