CHEBI:57340 - 3-hydroxy-2-methylpropanoyl-CoA(4−)

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ChEBI Name 3-hydroxy-2-methylpropanoyl-CoA(4−)
ChEBI ID CHEBI:57340
ChEBI ASCII Name 3-hydroxy-2-methylpropanoyl-CoA(4-)
Definition Tetraanion of 3-hydroxy-2-methylpropanoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H38N7O18P3S
Net Charge -4
Average Mass 849.59200
Monoisotopic Mass 849.12288
InChI InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13?,14-,17-,18-,19+,23-/m1/s1
InChIKey WWEOGFZEFHPUAM-MIZDRFBCSA-J
SMILES CC(CO)C(=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 3-hydroxy-2-methylpropanoyl-CoA(4−) (CHEBI:57340) has role human metabolite (CHEBI:77746)
3-hydroxy-2-methylpropanoyl-CoA(4−) (CHEBI:57340) is a acyl-CoA(4−) (CHEBI:58342)
3-hydroxy-2-methylpropanoyl-CoA(4−) (CHEBI:57340) is conjugate base of 3-hydroxy-2-methylpropanoyl-CoA (CHEBI:15481)
Incoming 3-hydroxy-2-methylpropanoyl-CoA (CHEBI:15481) is conjugate acid of 3-hydroxy-2-methylpropanoyl-CoA(4−) (CHEBI:57340)
IUPAC Name
3'-phosphonatoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) diphosphate]
Synonym Source
3-hydroxy-2-methylpropanoyl-CoA UniProt
Last Modified
22 October 2014