Summary

IMPPAT Phytochemical identifier: IMPHY001840

Phytochemical name: 4-Heptanol

Synonymous chemical names:
4-heptanol

External chemical identifiers:
CID:11513, ChEBI:165516, ZINC:ZINC000001648182, FDASRS:YG7B8091BP, SureChEMBL:SCHEMBL22249, MolPort-001-759-308

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Chemical structure information

SMILES:
CCCC(CCC)O

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

InChIKey:
YVBCULSIZWMTFY-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: 1.163

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Chemical structure download