Molecule

(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-14-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentadecan-2-yl]-2-hydroxydocosanamide

AlkaPlorer ID: AK036366

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecan-2-yl]-2-hydroxydocosanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCC(C)C

InChI: InChI=1S/C44H87NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-37(48)43(53)45-35(33-54-44-42(52)41(51)40(50)38(32-46)55-44)39(49)36(47)30-27-24-22-19-20-23-26-29-34(2)3/h34-42,44,46-52H,4-33H2,1-3H3,(H,45,53)/t35-,36+,37+,38+,39-,40+,41-,42+,44+/m0/s1

InChIKey: XTDUEKJJTQPGBA-GDGDGXLOSA-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: 162906576

LOTUS: LTS0027109

SuperNatural Ⅲ: SN0439422-02

Source

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

Properties Information

Molecule Weight: 790.1769999999998

TPSA？: 192.66

MolLogP？: 7.809400000000014

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi