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CHEBI:28334 - malonamoyl-CoA

ChEBI IDCHEBI:28334
ChEBI Namemalonamoyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of malonamic acid.
Secondary ChEBI IDsCHEBI:6659, CHEBI:25129
Last Modified3 August 2014
DownloadsMolfile
FormulaC24H39N8O18P3S
Net Charge0
Average Mass852.603
Monoisotopic Mass852.13159
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(N)=O
InChIInChI=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
InChIKeyKRWKKOAUSKOTIG-DVVLENMVSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Malonamoyl-CoAKEGG COMPOUND
malonamoyl-coenzyme AChEBI
Manual XrefsDatabases
C06625KEGG COMPOUND