Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009120

Phytochemical name: D-Sorbitol-6-phosphate

Synonymous chemical names:
sorbitol 6-phosphate, sorbitol-6-phosphate

External chemical identifiers:
CID:CID_152306, ChEBI:CHEBI:17044, ZINC:ZINC000002516111, SureChEMBL:SCHEMBL17285

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Chemical structure information

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

InChI:
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1

InChIKey:
GACTWZZMVMUKNG-SLPGGIOYSA-N

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

Functional groups:
CO, COP(=O)(O)O

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS079211, MSBNK-RIKEN_ReSpect-PS079210, MSBNK-RIKEN_ReSpect-PS079209, MSBNK-RIKEN_ReSpect-PS079207, MSBNK-RIKEN_ReSpect-PS079203, MSBNK-RIKEN_ReSpect-PS079202, MSBNK-RIKEN_ReSpect-PS079201, MSBNK-RIKEN-PR100780, MSBNK-RIKEN-PR100336, MSBNK-Osaka_Univ-OUF00216, MSBNK-Keio_Univ-KO009250, MSBNK-RIKEN_ReSpect-PS079208, MSBNK-Keio_Univ-KO009248, MSBNK-Keio_Univ-KO009249, MSBNK-Keio_Univ-KO001838, MSBNK-Keio_Univ-KO001839, MSBNK-Keio_Univ-KO001840, MSBNK-Keio_Univ-KO001841, MSBNK-Keio_Univ-KO001837, MSBNK-Keio_Univ-KO004043, MSBNK-Keio_Univ-KO004044, MSBNK-Keio_Univ-KO004045, MSBNK-Keio_Univ-KO004042, MSBNK-Keio_Univ-KO004046

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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-Likeness score: 1.594

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Chemical structure download