CHEBI:15495 - 4,8,12-trimethyltridecanoyl-CoA

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ChEBI Name 4,8,12-trimethyltridecanoyl-CoA ChEBI ID CHEBI:15495 Definition A multi-methyl-branched fatty acyl-CoA that is the S-(4,8,12-trimethyltridecanoyl) derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11928, CHEBI:1757, CHEBI:20281 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 C37H66N7O17P3S Net Charge 0 Average Mass 1005.94420 Monoisotopic Mass 1005.34488 InChI InChI=1S/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h21-26,30-32,36,47-48H,7-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24?,25?,26-,30-,31-,32+,36-/m1/s1 InChIKey ZYUOZFCHODHLHG-LEJRVOBCSA-N SMILES CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](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 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) has functional parent coenzyme A (CHEBI:15346) 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is a long-chain fatty acyl-CoA (CHEBI:33184) 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100) 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is conjugate acid of 4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) Incoming 4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) is conjugate base of 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 4,8,12-TMTD-CoA ChEBI 4,8,12-Trimethyltridecanoyl-CoA KEGG COMPOUND 4,8,12-trimethyltridecanoyl-coenzyme A ChEBI 4,8,12-trimethyltridecylyl-CoA ChEBI 4,8,12-trimethyltridecylyl-coenzyme A ChEBI Manual Xref Database C07296 KEGG COMPOUND View more database links Last Modified 31 March 2015