CHEBI:133868 - mevalonyl-CoA

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ChEBI Name mevalonyl-CoA
ChEBI ID CHEBI:133868
Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of mevalonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information ChemicalBook:CB8186041, eMolecules:525723, ZINC000003831040
Download Molfile XML SDF
Formula C27H46N7O19P3S
Net Charge 0
Average Mass 897.678
Monoisotopic Mass 897.17820
InChI InChI=1S/C27H46N7O19P3S/c1-26(2,21(39)24(40)30-6-4-16(36)29-7-9-57-17(37)10-27(3,41)5-8-35)12-50-56(47,48)53-55(45,46)49-11-15-20(52-54(42,43)44)19(38)25(51-15)34-14-33-18-22(28)31-13-32-23(18)34/h13-15,19-21,25,35,38-39,41H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,19-,20-,21+,25-,27?/m1/s1
InChIKey JFMNRCSZAUKVCF-YBAYKBPUSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CCO)(C)O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) 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): coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mevalonyl-CoA (CHEBI:133868) has functional parent mevalonic acid (CHEBI:25351)
mevalonyl-CoA (CHEBI:133868) has role Aspergillus metabolite (CHEBI:76956)
mevalonyl-CoA (CHEBI:133868) has role coenzyme (CHEBI:23354)
mevalonyl-CoA (CHEBI:133868) is a acyl-CoA (CHEBI:17984)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,5-dihydroxy-3-methylpentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Registry Number Type Source
10515447 Reaxys Registry Number Reaxys
Citation Type Source
22106303 PubMed citation SUBMITTER
Last Modified
06 March 2017