Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009082

Phytochemical name: cis,cis,cis-7,10,13-Hexadecatrienal

Synonymous chemical names:
cis,cis,cis-7,10,13-Hexadecatrienal, (z,z,z)-7,10,13-hexadecatrienal

External chemical identifiers:
CID:CID_5367366

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Chemical structure information

SMILES:
O=CCCCCC/C=C\C/C=C\C/C=C\CC

InChI:
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,6-7,9-10,16H,2,5,8,11-15H2,1H3/b4-3-,7-6-,10-9-

InChIKey:
USMAGXMGZXKLHT-PDBXOOCHSA-N

DeepSMILES:
O=CCCCCC/C=C\C/C=C\C/C=C\CC

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

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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: 1.742

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Chemical structure download