CHEBI:15516 - biotinyl-CoA

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ChEBI Name biotinyl-CoA ChEBI ID CHEBI:15516 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of biotin. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:22886, CHEBI:3111, CHEBI:13908 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H50N9O18P3S2 Net Charge 0 Average Mass 993.83184 Monoisotopic Mass 993.19281 InChI InChI=1S/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-15-37-22-26(32)35-14-36-27(22)40/h14-18,21,23-25,29,43-44H,3-13H2,1-2H3,(H,33,41)(H,34,45)(H,50,51)(H,52,53)(H2,32,35,36)(H2,38,39,46)(H2,47,48,49)/t16-,17-,18-,21-,23-,24-,25+,29-/m1/s1 InChIKey WNMONPKUDXWVKE-OLABLILRSA-N SMILES [H][C@@]12CS[C@H](CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)[C@]1([H])NC(=O)N2 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 biotinyl-CoA (CHEBI:15516) has functional parent biotin (CHEBI:15956) biotinyl-CoA (CHEBI:15516) is a acyl-CoA (CHEBI:17984) biotinyl-CoA (CHEBI:15516) is conjugate acid of biotinyl-CoA(4−) (CHEBI:57370) Incoming biotinyl-CoA(4−) (CHEBI:57370) is conjugate base of biotinyl-CoA (CHEBI:15516) IUPAC Name 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-({5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) Synonyms Sources Biotinyl-CoA KEGG COMPOUND biotinyl-coenzyme A ChEBI Manual Xref Database C01894 KEGG COMPOUND View more database links Citations Types Sources 3800379 PubMed citation Europe PMC IND85072840 Agricola citation Europe PMC Last Modified 04 August 2014