Summary

IMPPAT Phytochemical identifier: IMPHY003525

Phytochemical name: Nonanal

Synonymous chemical names:
1-nonanal, n-nonanal, nonanal, nonanal*, nonyl aldehyde, nonyladehyde, nonylaldehyde, pelargonaldehyde

External chemical identifiers:
CID:31289, ChEMBL:CHEMBL2228376, ChEBI:84268, ZINC:ZINC000001686990, FDASRS:2L2WBY9K6T, SureChEMBL:SCHEMBL22860, MolPort-001-783-881

---

Chemical structure information

SMILES:
CCCCCCCCC=O

InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

InChIKey:
GYHFUZHODSMOHU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O

Functional groups:
CC=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.387

---

Chemical structure download