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CHEBI:44970 - BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE

Default Structure
ChEBI IDCHEBI:44970
ChEBI NameBIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H33O20P3
Net Charge0
Average Mass638.342
Monoisotopic Mass638.07780
SMILES[H]O[C@]1([H])O[C@@]([H])(C([H])([H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(O[H])[C@]([H])(O[P@@](=O)(O[H])OC([H])([H])C([H])([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[P@](=O)(O[H])OC([H])([H])C([H])([H])[H]
InChIInChI=1S/C16H33O20P3/c1-3-29-38(25,26)35-13-11(19)9(17)7(33-15(13)21)5-31-37(23,24)32-6-8-10(18)12(20)14(16(22)34-8)36-39(27,28)30-4-2/h7-22H,3-6H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t7-,8+,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
InChIKeyQTCHWELPTUAUQX-QJRCGMLISA-N
ChEBI Ontology
Outgoing Relation(s)
BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE (CHEBI:44970) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4S,5S,6R)-6-({[{[(2S,3S,4S,5R,6R)-5-{[(R)-ethoxy(hydroxy)phosphoryl]oxy}-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}methyl)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl ethyl hydrogen (S)-phosphate (non-preferred name)PDBeChem
BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATEPDBeChem
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