UNPD147896

AlkaPlorer ID: AK160980

Synonym: None

IUPAC Name: (Z,2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxytetracos-15-enamide

Structure

SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C/C=C/CCCCCCCCCCC

copy

InChI: InChI=1S/C48H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,31,33,39-46,48,50-56H,3-16,19-30,32,34-38H2,1-2H3,(H,49,57)/b18-17-,33-31+/t39-,40+,41+,42+,43-,44-,45-,46+,48+/m0/s1

copy

InChIKey: IUKQWQNKOWZOHO-OTKJOBTDSA-N

copy

Properties Information

Molecule Weight: 842.2529999999998

TPSA: 192.66

MolLogP: 9.06590000000001

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information