IMPPAT Phytochemical information:
3,6-Nonadienal
Summary
IMPPAT Phytochemical identifier: IMPHY016097
Phytochemical name: 3,6-Nonadienal
Synonymous chemical names:(z,z)-3,6-nonadienol
External chemical identifiers:CID:5352808, ChEBI:80444, ZINC:ZINC000014614317, SureChEMBL:SCHEMBL2597474, MolPort-022-366-235
Chemical structure information
SMILES:
O=CC/C=CC/C=CCCInChI:
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-InChIKey:
FIDBXHOCOXRPRO-CWWKMNTPSA-NDeepSMILES:
O=CC/C=CC/C=CCCFunctional groups:
C/C=CC, CC=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire 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: 2.028
Chemical structure download