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CHEBI:133868 - mevalonyl-CoA

ChEBI IDCHEBI:133868
ChEBI Namemevalonyl-CoA
Stars
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of mevalonic acid.
Last Modified6 March 2017
SubmitterJubra
DownloadsMolfile
FormulaC27H46N7O19P3S
Net Charge0
Average Mass897.684
Monoisotopic Mass897.17820
SMILESCC(O)(CCO)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIInChI=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
InChIKeyJFMNRCSZAUKVCF-YBAYKBPUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (22106303)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
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 .
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:10515447Reaxys
Citations