CHEBI:28334 - malonamoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name malonamoyl-CoA
ChEBI ID CHEBI:28334
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of malonamic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6659, CHEBI:25129
Supplier Information
Download Molfile XML SDF
Formula C24H39N8O18P3S
Net Charge 0
Average Mass 852.59686
Monoisotopic Mass 852.13159
InChI InChI=1S/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1
InChIKey KRWKKOAUSKOTIG-DVVLENMVSA-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)CC(N)=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 malonamoyl-CoA (CHEBI:28334) has functional parent malonamic acid (CHEBI:43991)
malonamoyl-CoA (CHEBI:28334) is a acyl-CoA (CHEBI:17984)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-amino-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
Malonamoyl-CoA KEGG COMPOUND
malonamoyl-coenzyme A ChEBI
Manual Xref Database
C06625 KEGG COMPOUND
View more database links
Last Modified
04 August 2014