CHEBI:71244 - malonyl-CoA methyl ester

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ChEBI Name malonyl-CoA methyl ester
ChEBI ID CHEBI:71244
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of malonic acid monomethyl ester.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H40N7O19P3S
Net Charge 0
Average Mass 867.60700
Monoisotopic Mass 867.131
InChI InChI=1S/C25H40N7O19P3S/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)46-3)10-48-54(44,45)51-53(42,43)47-9-13-19(50-52(39,40)41)18(36)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,18-,19-,20?,24-/m1/s1
InChIKey CHQAJZULNPRMEN-FZEDXVDRSA-N
SMILES COC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(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
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 malonyl-CoA methyl ester (CHEBI:71244) has functional parent malonic acid (CHEBI:30794)
malonyl-CoA methyl ester (CHEBI:71244) is a acyl-CoA (CHEBI:17984)
malonyl-CoA methyl ester (CHEBI:71244) is a methyl ester (CHEBI:25248)
malonyl-CoA methyl ester (CHEBI:71244) is conjugate acid of malonyl-CoA methyl ester(4−) (CHEBI:71242)
Incoming malonyl-CoA methyl ester(4−) (CHEBI:71242) is conjugate base of malonyl-CoA methyl ester (CHEBI:71244)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methoxy-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
5'-O-[hydroxy({hydroxy[(15-hydroxy-16,16-dimethyl-3,5,10,14-tetraoxo-2-oxa-6-thia-9,13-diazaheptadecan-17-yl)oxy]phosphoryl}oxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) IUPAC
malonyl-coenzyme A methyl ester ChEBI
Manual Xref Database
CPD-12454 MetaCyc
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Last Modified
13 April 2015