2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol; (2S,3R,4E,8E,10E)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286408
Synonym: Ophidiacerebroside C, Stellaster Cerebroside S-1-3
IUPAC Name: 2-hydroxy-N-[(4E,8E,10E)-3-hydroxy-9-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide
Structure
SMILES: CCCCCCC/C=C/C(C)=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C47H87NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-30-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-27-29-33-38(3)32-28-25-23-11-9-7-5-2/h28,31-34,39-45,47,49-54H,4-27,29-30,35-37H2,1-3H3,(H,48,55)/b32-28+,34-31+,38-33+
InChIKey: ADGAACRDRIHEAW-NHXPKATGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ophidiaster | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 810.2109999999989
TPSA？: 168.94
MolLogP？: 8.640700000000006
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|