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CHEBI:43153 - N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A

Default Structure
ChEBI IDCHEBI:43153
ChEBI NameN-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H39N8O18P3
Net Charge0
Average Mass808.525
Monoisotopic Mass808.15952
SMILES[H]ON([H])C(=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C23H39N8O18P3/c1-23(2,18(35)21(36)26-7-5-13(32)25-6-3-4-14(33)30-37)9-46-52(43,44)49-51(41,42)45-8-12-17(48-50(38,39)40)16(34)22(47-12)31-11-29-15-19(24)27-10-28-20(15)31/h10-12,16-18,22,34-35,37H,3-9H2,1-2H3,(H,25,32)(H,26,36)(H,30,33)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t12-,16-,17-,18+,22-/m1/s1
InChIKeyUCBQLSAQGRRAIX-GRFIIANRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A (CHEBI:43153) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-[(3-{[4-(hydroxyamino)-4-oxobutyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)PDBeChem
N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *APDBeChem
Manual XrefsDatabases
HAXPDBeChem