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CHEBI:133870 - anhydromevalonyl-CoA

Default Structure
ChEBI IDCHEBI:133870
ChEBI Nameanhydromevalonyl-CoA
Stars
DefinitionA hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of anhydromevalonic acid.
Last Modified6 March 2017
SubmitterJubra
DownloadsMolfile
FormulaC27H44N7O18P3S
Net Charge0
Average Mass879.669
Monoisotopic Mass879.16764
SMILESC/C(=C\C(=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)CCO
InChIInChI=1S/C27H44N7O18P3S/c1-15(5-8-35)10-18(37)56-9-7-29-17(36)4-6-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h10,13-14,16,20-22,26,35,38-39H,4-9,11-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/b15-10+/t16-,20-,21-,22+,26-/m1/s1
InChIKeyDNQYORBBTWPHHN-NWDFDVENSA-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)
anhydromevalonyl-CoA (CHEBI:133870) has role Aspergillus metabolite (CHEBI:76956)
anhydromevalonyl-CoA (CHEBI:133870) has role coenzyme (CHEBI:23354)
anhydromevalonyl-CoA (CHEBI:133870) is a homoallylic alcohol (CHEBI:134362)
anhydromevalonyl-CoA (CHEBI:133870) is a hydroxyacyl-CoA (CHEBI:62618)
Synonym  Source
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-5-hydroxy-3-methylpent-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}ChEBI
Citations