Molecule

152139-44-1

AlkaPlorer ID: AK052359

Synonym: 'Luidiacerebroside B', '(+)-Luidiacerebroside B'

IUPAC Name: (2R)-N-[(2S,3S,4R,16S)-3,4-dihydroxy-16-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytetracosanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCC[C@@H](C)CC

InChI: InChI=1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39-,40-,41+,42+,43+,44-,45+,46-,47+,49+/m0/s1

InChIKey: CWDKQZNZOJUUBP-IZIPESLHSA-N

Reference

Isolation and Structure of a GD3-Type Ganglioside Molecular Species Possessing Neuritogenic Activity from the Starfish Luidia maculata

PubChem CID: 162940976

LOTUS: LTS0100737

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Luidia maculata	Luidia	Luidiidae	Paxillosida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 860.3119999999997

TPSA？: 192.66

MolLogP？: 9.759900000000004

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi