CHEBI:57351 - 4,8,12-trimethyltridecanoyl-CoA(4−)

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ChEBI Name 4,8,12-trimethyltridecanoyl-CoA(4−)
ChEBI ID CHEBI:57351
ChEBI ASCII Name 4,8,12-trimethyltridecanoyl-CoA(4-)
Definition A multi-methyl-branched fatty acyl-CoA(4−) arising from deprotonation of phosphate and diphosphate functions of 4,8,12-trimethyltridecanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H62N7O17P3S
Net Charge -4
Average Mass 1001.91100
Monoisotopic Mass 1001.31577
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)/p-4/t24?,25?,26-,30-,31-,32+,36-/m1/s1
InChIKey ZYUOZFCHODHLHG-LEJRVOBCSA-J
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
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) has role human metabolite (CHEBI:77746)
4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458)
4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) is conjugate base of 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495)
Incoming 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is conjugate acid of 4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351)
IUPAC Name
3'-phosphonatoadenosine 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] diphosphate}
Synonyms Sources
4,8,12-trimethyltridecanoyl-CoA UniProt
4,8,12-trimethyltridecanoyl-CoA tetraanion ChEBI
4,8,12-trimethyltridecanoyl-coenzyme A(4−) ChEBI
Last Modified
20 July 2015