152139-44-1
AlkaPlorer ID: AK052357
Synonym: 'Luidiacerebroside B', '(+)-Luidiacerebroside B'
IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-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)CCCCCCCCCCCC(C)CC
InChI: InChI=1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39?,40-,41+,42+,43+,44-,45-,46-,47+,49-/m0/s1
InChIKey: CWDKQZNZOJUUBP-SBOGZJMMSA-N
Reference
Agelasphins, novel α-galactosylceramides from the marine sponge Agelas mauritianus
PubChem CID: 10373403
LOTUS: LTS0004033
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas mauritiana | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 860.3119999999997
TPSA？: 192.66
MolLogP？: 9.759900000000004
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|