N-[(Z)-hexadec-9-enoyl]-2-aminobutyric acid methyl ester (C16:1-NABME)

AlkaPlorer ID: AK327546

Synonym: None

IUPAC Name: methyl 2-[[(Z)-hexadec-9-enoyl]amino]butanoate

Structure

SMILES: CCCCCC/C=C\CCCCCCCC(=O)NC(CC)C(=O)OC

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InChI: InChI=1S/C21H39NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(5-2)21(24)25-3/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10-

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InChIKey: YRYSGQMHUIAXPV-KHPPLWFESA-N

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Properties Information

Molecule Weight: 353.5470000000001

TPSA: 55.400000000000006

MolLogP: 5.311500000000005

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information