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CHEBI:40725 - AMIDOCARBOXYMETHYLDETHIA COENZYME *A

Default Structure
ChEBI IDCHEBI:40725
ChEBI NameAMIDOCARBOXYMETHYLDETHIA COENZYME *A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H39N8O17P3
Net Charge0
Average Mass792.526
Monoisotopic Mass792.16460
SMILES[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H])O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C23H39N8O17P3/c1-23(2,18(35)21(36)27-7-5-14(33)26-6-3-4-13(24)32)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H2,24,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
InChIKeyRMWCNISNSABOOL-GRFIIANRSA-N
ChEBI Ontology
Outgoing Relation(s)
AMIDOCARBOXYMETHYLDETHIA COENZYME *A (CHEBI:40725) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R)-4-({3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)PDBeChem
AMIDOCARBOXYMETHYLDETHIA COENZYME *APDBeChem
Manual XrefsDatabases
AMXPDBeChem