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CHEBI:41620 - COA-S-ACETYL TRYPTAMINE

Default Structure
ChEBI IDCHEBI:41620
ChEBI NameCOA-S-ACETYL TRYPTAMINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC33H48N9O17P3S
Net Charge0
Average Mass967.782
Monoisotopic Mass967.21017
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])SC([H])([H])C(=O)N([H])C([H])([H])C([H])([H])c2c([H])n([H])c3c([H])c([H])c([H])c([H])c23)O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C33H48N9O17P3S/c1-33(2,28(46)31(47)37-10-8-23(43)36-11-12-63-15-24(44)35-9-7-19-13-38-21-6-4-3-5-20(19)21)16-56-62(53,54)59-61(51,52)55-14-22-27(58-60(48,49)50)26(45)32(57-22)42-18-41-25-29(34)39-17-40-30(25)42/h3-6,13,17-18,22,26-28,32,38,45-46H,7-12,14-16H2,1-2H3,(H,35,44)(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,34,39,40)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1
InChIKeyZRDQFWRSRPZOSQ-GMHMEAMDSA-N
ChEBI Ontology
Outgoing Relation(s)
COA-S-ACETYL TRYPTAMINE (CHEBI:41620) 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)-3-hydroxy-17-(1H-indol-3-yl)-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15-triazaheptadec-1-yl dihydrogen diphosphate (non-preferred name)PDBeChem
COA-S-ACETYL TRYPTAMINEPDBeChem
Manual XrefsDatabases
COTPDBeChem