2-Amino-8-octadecene-1,3,4-triol; (2S,3S,4R,8E)-form, N-Heneicosanoyl 

AlkaPlorer ID: AK286886

Synonym: None

IUPAC Name: N-[(E)-1,3,4-trihydroxyoctadec-8-en-2-yl]henicosanamide

Structure

SMILES: CCCCCCCCC/C=C/CCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC

copy

InChI: InChI=1S/C39H77NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(43)40-36(35-41)39(44)37(42)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,36-37,39,41-42,44H,3-24,26,28-35H2,1-2H3,(H,40,43)/b27-25+

copy

InChIKey: ZNIXOYGEUSUMRP-IMVLJIQESA-N

copy

Reference

PubChem CID: 14757366

CAS: 1101199-07-8

Source

Properties Information

Molecule Weight: 624.0480000000001

TPSA: 89.78999999999999

MolLogP: 10.484299999999998

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