2,4,9-Hexadecatriene-12,14-diynoic acid; (2E,4E,9Z)-form, 2-Methylpropylamide 

AlkaPlorer ID: AK300275

Synonym: 2,4,9-Hexadecatriene-12,14-diynoic acid isobutylamide

IUPAC Name: None

Structure

SMILES: CC#CC#CC/C=C/CCC/C=C/C=C/C(=O)NCC(C)C

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InChI: InChI=1S/C20H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h9-10,14-17,19H,8,11-13,18H2,1-3H3,(H,21,22)/b10-9+,15-14+,17-16+

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InChIKey: SGRIYIPZNBGXKS-BAMGXZQPSA-N

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Reference

PubChem CID: 172496048

CAS: 1616795-84-6

Source

Properties Information

Molecule Weight: 297.442

TPSA: 29.1

MolLogP: 4.014300000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information