Summary

IMPPAT Phytochemical identifier: IMPHY010311

Phytochemical name: (2R,3R,4S)-pentane-1,2,3,4-tetrol

Synonymous chemical names:
1-deoxyl-d-xylitol

External chemical identifiers:
CID:10796790, ZINC:ZINC000004995360, SureChEMBL:SCHEMBL4980946

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Chemical structure information

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

InChI:
InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3/t3-,4+,5+/m0/s1

InChIKey:
FJGNTEKSQVNVTJ-VPENINKCSA-N

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

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.052

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Chemical structure download