Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017760

Phytochemical name: cis-5-Dodecenoic acid

Synonymous chemical names:
cis-5-dodecenoic acid

External chemical identifiers:
CID:CID_5312378, ChEMBL:CHEMBL1169837, ChEBI:CHEBI:86595, ZINC:ZINC000032786154, SureChEMBL:SCHEMBL1142229

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Chemical structure information

SMILES:
CCCCCC/C=C\CCCC(=O)O

InChI:
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-

InChIKey:
IJBFSOLHRKELLR-FPLPWBNLSA-N

DeepSMILES:
CCCCCC/C=C\CCCC=O)O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.284

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Chemical structure download