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CHEBI:43841 - METHYLMALONYL(CARBADETHIA)-COENZYME A

Default Structure
ChEBI IDCHEBI:43841
ChEBI NameMETHYLMALONYL(CARBADETHIA)-COENZYME A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H42N7O19P3
Net Charge0
Average Mass849.574
Monoisotopic Mass849.17483
SMILES[H]OC(=O)[C@]([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])C([H])([H])[H]
InChIInChI=1S/C26H42N7O19P3/c1-13(25(39)40)14(34)5-4-7-28-16(35)6-8-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-15-19(51-53(41,42)43)18(36)24(50-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,4-10H2,1-3H3,(H,28,35)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,15+,18+,19+,20-,24+/m0/s1
InChIKeyNFOFXPNZJMTBQW-XSSXAYJJSA-N
ChEBI Ontology
Outgoing Relation(s)
METHYLMALONYL(CARBADETHIA)-COENZYME A (CHEBI:43841) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)PDBeChem
METHYLMALONYL(CARBADETHIA)-COENZYME APDBeChem
Manual XrefsDatabases
MCDPDBeChem