Molecule

(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptadecan-2-yl]-2-hydroxytetracosanamide

AlkaPlorer ID: AK012781

Synonym: None

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

InChI: InChI=1S/C48H95NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-41(52)47(57)49-39(37-58-48-46(56)45(55)44(54)42(36-50)59-48)43(53)40(51)34-31-28-25-23-20-21-24-27-30-33-38(2)3/h38-46,48,50-56H,4-37H2,1-3H3,(H,49,57)/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1

InChIKey: ZFKNVPCSUNCEDZ-JWCXELGHSA-N

Reference

Biologically active glycosides from asteroidea, XX. Glycosphingolipids from the starfish <i>Asterina pectinifera</i>,1. Isolation and characterization of acanthacerebroside B and structure elucidation of related, nearly homogeneous cerebrosides

PubChem CID: 14586591

LOTUS: LTS0109230

SuperNatural Ⅲ: SN0468946-05

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Patiria pectinifera	Patiria	Asterinidae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 846.2849999999997

TPSA？: 192.66

MolLogP？: 9.369800000000009

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi