Molecule

UNPD83161

AlkaPlorer ID: AK156287

Synonym: None

IUPAC Name: (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocos-9-en-2-yl]-2-hydroxypentadecanamide

Structure

SMILES: CCCCCCCCCCCC/C=C\CCCC[C@@H](O)[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)CCCCCCCCCCCCC

InChI: InChI=1S/C43H83NO10/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-35(46)38(48)34(33-53-43-41(51)40(50)39(49)37(32-45)54-43)44-42(52)36(47)31-29-27-25-23-20-14-12-10-8-6-4-2/h21-22,34-41,43,45-51H,3-20,23-33H2,1-2H3,(H,44,52)/b22-21-/t34-,35+,36+,37+,38-,39+,40-,41+,43+/m0/s1

InChIKey: PENXOPMNVFCIJK-ROTKGEHZSA-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: 11029091

LOTUS: LTS0079835

SuperNatural Ⅲ: SN0283265-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Asterias amurensis	Asterias	Asteriidae	Forcipulatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 774.1339999999993

TPSA？: 192.66

MolLogP？: 7.33940000000001

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi