Summary

IMPPAT Phytochemical identifier: IMPHY012765

Phytochemical name: (E)-Hexadec-11-enal

Synonymous chemical names:
11-hexadecenal

External chemical identifiers:
CID:5283376, ZINC:ZINC000005509932, SureChEMBL:SCHEMBL811762

---

Chemical structure information

SMILES:
CCCC/C=C/CCCCCCCCCC=O

InChI:
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5+

InChIKey:
AMTITFMUKRZZEE-AATRIKPKSA-N

DeepSMILES:
CCCC/C=C/CCCCCCCCCC=O

Functional groups:
C/C=C/C, CC=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.251

---

Chemical structure download