Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013270

Phytochemical name: Alpha-d-xylopyranose

Synonymous chemical names:
alpha-d-xylose

External chemical identifiers:
CID:CID_6027, ChEBI:CHEBI:28518, ZINC:ZINC000001529214, FDASRS:C791ZE5K1W, SureChEMBL:SCHEMBL345574, MolPort-004-780-273

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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-LECHCGJUSA-N

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

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

Link to spectral information:
MSBNK-GL_Sciences_Inc-GLS00169, MSBNK-GL_Sciences_Inc-GLS00170, MSBNK-Osaka_Univ-OUF00493, MSBNK-Osaka_Univ-OUF00494

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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