EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40004 - ADP-(3-O-acetyl-D-lyxose)

ChEBI IDCHEBI:40004
ChEBI NameADP-(3-O-acetyl-D-lyxose)
Stars
ASCII NameADP-(3-O-acetyl-D-lyxose)
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H25N5O15P2
Net Charge0
Average Mass601.355
Monoisotopic Mass601.08224
SMILES[H]O[C@@]1([H])O[C@@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(n3c([H])nc4c(N([H])[H])nc([H])nc43)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]1([H])O[H]
InChIInChI=1S/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11-,12-,13-,16-,17+/m1/s1
InChIKeyHNHCIVXQBMBKPQ-ARMUENPQSA-N
ChEBI Ontology
Outgoing Relation(s)
ADP-(3-O-acetyl-D-lyxose) (CHEBI:40004) is a ADP-aldose (CHEBI:17193)
Synonyms  Source
(2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-4,5-DIHYDROXYTETRAHYDROFURAN-3-YL ACETATEPDBeChem
(2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate (non-preferred name)PDBeChem
Manual XrefsDatabases
3ODPDBeChem