Molecule

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

AlkaPlorer ID: AK073808

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3S,4S,5R,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)CCCCCCCCCCCCC

InChI: InChI=1S/C47H93NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-40(51)46(56)48-38(37-57-47-45(55)44(54)43(53)41(36-49)58-47)42(52)39(50)34-32-30-28-26-24-14-12-10-8-6-4-2/h38-45,47,49-55H,3-37H2,1-2H3,(H,48,56)/t38-,39+,40+,41+,42-,43-,44-,45-,47+/m0/s1

InChIKey: BOUZCHMSDNAECU-KDURSFAXSA-N

Reference

Identification of Sixteen New Galactocerebrosides from the Starfish Protoreaster nodosus

PubChem CID: 162955893

LOTUS: LTS0191856

SuperNatural Ⅲ: SN0031366-01

NPASS: NPC256867

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Digitalis canariensis	Digitalis	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Discaria chacaye	Discaria	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Methanothermobacter thermautotrophicus	Methanothermobacter	Methanobacteriaceae	Methanobacteriales	Methanobacteria	Euryarchaeota	None	Archaea
Cephalotaxus sinensis	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 832.2579999999997

TPSA？: 192.66

MolLogP？: 9.123800000000008

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi