Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010341

Phytochemical name: Taurine

Synonymous chemical names:
taurine, l-taurine

External chemical identifiers:
CID:CID_1123, ChEMBL:CHEMBL239243, ChEBI:CHEBI:507393, ZINC:ZINC000003809490, FDASRS:1EQV5MLY3D, SureChEMBL:SCHEMBL23068, MolPort-000-006-300

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Chemical structure information

SMILES:
NCCS(=O)(=O)O

InChI:
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

InChIKey:
XOAAWQZATWQOTB-UHFFFAOYSA-N

DeepSMILES:
NCCS=O)=O)O

Functional groups:
CN, CS(=O)(=O)O

Link to spectral information:
MSBNK-NAIST-KNA00479, MSBNK-NAIST-KNA00480, MSBNK-NAIST-KNA00481, MSBNK-NAIST-KNA00482, MSBNK-NAIST-KNA00668, MSBNK-NAIST-KNA00669, MSBNK-NAIST-KNA00670, MSBNK-RIKEN-PR100200, MSBNK-Osaka_Univ-OUF00470, MSBNK-RIKEN-PR010028, MSBNK-RIKEN_ReSpect-PS034701, MSBNK-RIKEN_ReSpect-PS034702, MSBNK-RIKEN_ReSpect-PS034703, MSBNK-RIKEN_ReSpect-PS034705, MSBNK-NAIST-KNA00275, MSBNK-NAIST-KNA00671, MSBNK-RIKEN_ReSpect-PS034707, MSBNK-NAIST-KNA00274, MSBNK-NAIST-KNA00272, MSBNK-NAIST-KNA00273, MSBNK-Antwerp_Univ-METOX_P101002_EF88, MSBNK-Antwerp_Univ-METOX_P101002_F638, MSBNK-Keio_Univ-KO001872, MSBNK-Keio_Univ-KO001873, MSBNK-Keio_Univ-KO001875, MSBNK-Keio_Univ-KO001876, MSBNK-Keio_Univ-KO004077, MSBNK-Keio_Univ-KO001874, MSBNK-Keio_Univ-KO004079, MSBNK-Keio_Univ-KO004080, MSBNK-Keio_Univ-KO004081, MSBNK-NAIST-KNA00033, MSBNK-NAIST-KNA00034, MSBNK-NAIST-KNA00035, MSBNK-NAIST-KNA00036, MSBNK-Keio_Univ-KO004078

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Organic sulfonic acids and derivatives

ClassyFire Subclass: Organosulfonic acids and derivatives

NP-Likeness score: 0.614

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Chemical structure download