Summary

IMPPAT Phytochemical identifier: IMPHY006506

Phytochemical name: cis-1,3-Pentadiene

Synonymous chemical names:
1,3-pentadiene

External chemical identifiers:
CID:643785, ZINC:ZINC000071775428, FDASRS:PT6373J6YO, SureChEMBL:SCHEMBL432583, MolPort-006-113-423

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Chemical structure information

SMILES:
C/C=CC=C

InChI:
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-

InChIKey:
PMJHHCWVYXUKFD-PLNGDYQASA-N

DeepSMILES:
C/C=CC=C

Functional groups:
C=C/C=CC

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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: 2.127

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Chemical structure download