Molecule

(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecan-2-yl]-2-hydroxytetracosanamide

AlkaPlorer ID: AK052534

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-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)C

InChI: InChI=1S/C47H93NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-30-27-24-22-21-23-26-29-32-37(2)3/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t38-,39+,40+,41+,42-,43+,44-,45+,47+/m0/s1

InChIKey: XATOAUGQRUVQKV-RYLBTJLRSA-N

Reference

Biologically active glycosides from asteroidea, XXII. Glycosphingolipids from the starfish <i>Astropecten latespinosus</i>, I. Structures of three new cerebrosides, astrocerebroside A, B, and C and of related nearly homogeneous cerebrosides

PubChem CID: 11672332

LOTUS: LTS0198536

SuperNatural Ⅲ: SN0425130-03

Source

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

Properties Information

Molecule Weight: 832.2579999999998

TPSA？: 192.66

MolLogP？: 8.97970000000001

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi