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CHEBI:41629 - COENZYME A PERSULFIDE

Default Structure
ChEBI IDCHEBI:41629
ChEBI NameCOENZYME A PERSULFIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H36N7O16P3S2
Net Charge0
Average Mass799.608
Monoisotopic Mass799.08728
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])SS[H])O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKeyREVPHPVBPSIEKM-IBOSZNHHSA-N
ChEBI Ontology
Outgoing Relation(s)
COENZYME A PERSULFIDE (CHEBI:41629) 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)-4-({3-[(2-disulfanylethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)PDBeChem
COENZYME A PERSULFIDEPDBeChem
Manual XrefsDatabases
COSPDBeChem