CHEBI:28673 - 3-oxopropanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxopropanoyl-CoA
Definition An acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxopropanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1652, CHEBI:20181
Supplier Information
Download Molfile XML SDF
Formula C24H38N7O18P3S
Net Charge 0
Average Mass 837.58100
Monoisotopic Mass 837.12069
InChI InChI=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
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 3-oxopropanoyl-CoA(4−) (CHEBI:84996) is conjugate base of 3-oxopropanoyl-CoA (CHEBI:28673)
Synonyms Sources
3-oxopropanoyl-coenzyme A ChEBI
3-Oxopropionyl-CoA KEGG COMPOUND
Malonyl semialdehyde-CoA KEGG COMPOUND
Manual Xrefs Databases
CPD-17259 MetaCyc
View more database links
Registry Number Type Source
78199 Reaxys Registry Number Reaxys
Last Modified
22 April 2015