Summary

IMPPAT Phytochemical identifier: IMPHY012820

Phytochemical name: cis-3-Hexenyl lactate

Synonymous chemical names:
cis-3-hexenyl lactate

External chemical identifiers:
CID:5364231, ChEBI:171942, FDASRS:55ET6N4SAG, SureChEMBL:SCHEMBL873161, MolPort-003-960-157

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Chemical structure information

SMILES:
CC/C=CCCOC(=O)C(O)C

InChI:
InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-

InChIKey:
NNLLMULULOBXBY-PLNGDYQASA-N

DeepSMILES:
CC/C=CCCOC=O)CO)C

Functional groups:
C/C=CC, CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.249

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Chemical structure download