CHEBI:27762 - 3-hydroxypropanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxypropanoyl-CoA
ChEBI ID CHEBI:27762
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20080, CHEBI:1554
Supplier Information
Download Molfile XML SDF
Formula C24H40N7O18P3S
Net Charge 0
Average Mass 839.59806
Monoisotopic Mass 839.13634
InChI InChI=1S/C24H40N7O18P3S/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/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(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
InChIKey BERBFZCUSMQABM-IEXPHMLFSA-N
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)CCO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxypropanoyl-CoA (CHEBI:27762) has functional parent 3-hydroxypropionic acid (CHEBI:33404)
3-hydroxypropanoyl-CoA (CHEBI:27762) has functional parent propionyl-CoA (CHEBI:15539)
3-hydroxypropanoyl-CoA (CHEBI:27762) has role mouse metabolite (CHEBI:75771)
3-hydroxypropanoyl-CoA (CHEBI:27762) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxypropanoyl-CoA (CHEBI:27762) is conjugate acid of 3-hydroxypropanoyl-CoA(4−) (CHEBI:58528)
Incoming 3-hydroxypropanoyl-CoA(4−) (CHEBI:58528) is conjugate base of 3-hydroxypropanoyl-CoA (CHEBI:27762)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-Hydroxypropanoyl coenzymeA KEGG COMPOUND
3-Hydroxypropanoyl-CoA KEGG COMPOUND
3-Hydroxypropionyl coenzyme A KEGG COMPOUND
3-Hydroxypropionyl-CoA KEGG COMPOUND
beta-Hydroxypropionyl-CoA KEGG COMPOUND
Manual Xref Database
C05668 KEGG COMPOUND
View more database links
Last Modified
27 January 2016