Summary

IMPPAT Phytochemical identifier: IMPHY004167

Phytochemical name: beta-D-Xylopyranose

Synonymous chemical names:
d-xylose

External chemical identifiers:
CID:125409, ChEBI:28161, ZINC:ZINC000001529215, FDASRS:0122W3SP9U, SureChEMBL:SCHEMBL624301, MolPort-004-780-270

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Chemical structure information

SMILES:
O[C@@H]1CO[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1

InChIKey:
SRBFZHDQGSBBOR-KKQCNMDGSA-N

DeepSMILES:
O[C@@H]CO[C@H][C@@H][C@H]6O))O))O

Functional groups:
CO, CO[C@H](C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 2.512

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Chemical structure download