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CHEBI:41370 - OXIDIZED COENZYME A

Default Structure
ChEBI IDCHEBI:41370
ChEBI NameOXIDIZED COENZYME A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H36N7O17P3S
Net Charge0
Average Mass783.540
Monoisotopic Mass783.11012
SMILES[H]OSC([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/C21H36N7O17P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-40)8-42-48(38,39)45-47(36,37)41-7-11-15(44-46(33,34)35)14(30)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,40H,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
InChIKeyHWMGJMKHOJKGLQ-IBOSZNHHSA-N
ChEBI Ontology
Outgoing Relation(s)
OXIDIZED COENZYME A (CHEBI:41370) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfenic acid 3,5-dioxide (non-preferred name)PDBeChem
OXIDIZED COENZYME APDBeChem
Manual XrefsDatabases
CAOPDBeChem