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CHEBI:43954 - N''-(2-COENZYME A)-PROPANOYL-LYSINE

Default Structure
ChEBI IDCHEBI:43954
ChEBI NameN''-(2-COENZYME A)-PROPANOYL-LYSINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H52N9O19P3S
Net Charge0
Average Mass967.779
Monoisotopic Mass967.23130
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(SC([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/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1
InChIKeyRFJAZFUCRKBHCW-NFOKXICTSA-N
ChEBI Ontology
Outgoing Relation(s)
N''-(2-COENZYME A)-PROPANOYL-LYSINE (CHEBI:43954) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)PDBeChem
N''-(2-COENZYME A)-PROPANOYL-LYSINEPDBeChem
Manual XrefsDatabases
LYXPDBeChem