Summary

IMPPAT Phytochemical identifier: IMPHY017214

Phytochemical name: 1,3,6,10-Dodecatetraene

Synonymous chemical names:
1,3,6,10-dodecatetraene

External chemical identifiers:
CID:22236753, SureChEMBL:SCHEMBL4929453

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Chemical structure information

SMILES:
C/C=C/CC/C=C/C/C=C/C=C

InChI:
InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-7,11-12H,1,8-10H2,2H3/b6-4+,7-5+,12-11+

InChIKey:
ATGMONWNTWAVCU-SJZBDCFKSA-N

DeepSMILES:
C/C=C/CC/C=C/C/C=C/C=C

Functional groups:
C/C=C/C, C=C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 2.684

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Chemical structure download