Molecule

(2R)-2-hydroxy-N-[(2S,3R,4E,10E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,10-dien-2-yl]tetracosanamide

AlkaPlorer ID: AK152709

Synonym: None

IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,10E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,10-dien-2-yl]tetracosanamide

Structure

SMILES: CCCCCCC/C=C/CCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

InChI: InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,34,36,40-46,48,50-55H,3-15,17-23,25-33,35,37-39H2,1-2H3,(H,49,56)/b24-16+,36-34+/t40-,41+,42+,43+,44+,45-,46+,48+/m0/s1

InChIKey: FFBHHSOGNXQILS-MCDYBOAQSA-N

Reference

Biologically active glycosides from asteroidea, XIII. Glycosphingolipids from the starfish <i>Acanthaster planci</i>, 2. Isolation and structure of six new cerebrosides

PubChem CID: 13942536

LOTUS: LTS0122720

SuperNatural Ⅲ: SN0083980-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acanthaster planci	Acanthaster	Acanthasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 826.2539999999987

TPSA？: 172.43

MolLogP？: 10.095100000000002

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi