Summary

IMPPAT Phytochemical identifier: IMPHY003971

Phytochemical name: D-Mannoheptulose

Synonymous chemical names:
d-manno-2-heptulose, l-galacto-2-heptulose, mannoheptulose

External chemical identifiers:
CID:12600, ChEBI:78363, ZINC:ZINC000100036265, FDASRS:W19YH62373, SureChEMBL:SCHEMBL119659, MolPort-044-561-354

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Chemical structure information

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

InChI:
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1

InChIKey:
HSNZZMHEPUFJNZ-QMTIVRBISA-N

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

Functional groups:
CC(C)=O, CO

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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: 1.802

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Chemical structure download