CHEBI:15513 - acryloyl-CoA

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ChEBI Name acryloyl-CoA
ChEBI ID CHEBI:15513
Definition The S-acryloyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8488, CHEBI:13722, CHEBI:26301
Supplier Information ZINC000008551269
Download Molfile XML SDF
Formula C24H38N7O17P3S
Net Charge 0
Average Mass 821.58278
Monoisotopic Mass 821.12577
InChI InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1
InChIKey POODSGUMUCVRTR-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)C=C
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 acryloyl-CoA (CHEBI:15513) has functional parent acrylic acid (CHEBI:18308)
acryloyl-CoA (CHEBI:15513) has functional parent coenzyme A (CHEBI:15346)
acryloyl-CoA (CHEBI:15513) has role mouse metabolite (CHEBI:75771)
acryloyl-CoA (CHEBI:15513) is a 2-enoyl-CoA (CHEBI:19573)
acryloyl-CoA (CHEBI:15513) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
acryloyl-CoA (CHEBI:15513) is conjugate acid of acryloyl-CoA(4−) (CHEBI:57367)
Incoming acryloyl-CoA(4−) (CHEBI:57367) is conjugate base of acryloyl-CoA (CHEBI:15513)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonyms Sources
Acryloyl-CoA KEGG COMPOUND
Acryloyl-coa ChEBI
Acryloyl-coenzyme A ChemIDplus
Acrylyl-CoA KEGG COMPOUND
Acrylyl-coa ChemIDplus
Coenzyme A, S-2-propenoate ChemIDplus
Propenoyl-CoA KEGG COMPOUND
Manual Xrefs Databases
C00894 KEGG COMPOUND
c0150 UM-BBD
View more database links
Registry Numbers Types Sources
5776-58-9 CAS Registry Number ChemIDplus
78117 Beilstein Registry Number Beilstein
Last Modified
05 February 2018