2-Amino-1,3,4-octadecanetriol; (2S,3S,4R)-form, N-(9Z,12Z-Octadecadienoyl) 

AlkaPlorer ID: AK286768

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC

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InChI: InChI=1S/C36H69NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,33-34,36,38-39,41H,3-10,12,14-16,19-32H2,1-2H3,(H,37,40)/b13-11+,18-17+

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InChIKey: NWQKPXLMJDEMPK-XZBBILGWSA-N

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Reference

CAS: 173059-97-7

Properties Information

Molecule Weight: 579.951

TPSA: 89.79

MolLogP: 9.090000000000003

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information