Summary

IMPPAT Phytochemical identifier: IMPHY016362

Phytochemical name: 3-Heptanol

Synonymous chemical names:
3-heptanol

External chemical identifiers:
CID:11520, ChEMBL:CHEMBL452729, FDASRS:12YBT48HMK, SureChEMBL:SCHEMBL26280, MolPort-001-793-645

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Chemical structure information

SMILES:
CCCCC(CC)O

InChI:
InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3

InChIKey:
RZKSECIXORKHQS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC))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: 1.366

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Chemical structure download