Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001964

Phytochemical name: Xylitol

Synonymous chemical names:
ribitol(adonitol), xylitol

External chemical identifiers:
CID:CID_6912, ChEMBL:CHEMBL1865120, ZINC:ZINC000018068098, SureChEMBL:SCHEMBL1924966, MolPort-044-875-282

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Chemical structure information

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

InChI:
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?

InChIKey:
HEBKCHPVOIAQTA-NGQZWQHPSA-N

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

Functional groups:
CO

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS055007, MSBNK-GL_Sciences_Inc-GLS00171, MSBNK-Osaka_Univ-OUF00492, MSBNK-RIKEN_ReSpect-PS055001

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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: 1.323

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Chemical structure download