2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol; (2S,3R,4E,8E,10E)-form, N-(2R-Hydroxyheneicosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286410
Synonym: Ophidiacerebroside B
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]henicosanamide
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)CCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C46H85NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-29-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-26-28-32-37(3)31-27-24-22-11-9-7-5-2/h27,30-33,38-44,46,48-53H,4-26,28-29,34-36H2,1-3H3,(H,47,54)/b31-27+,33-30+,37-32+
InChIKey: ODCNSAFMAMQPIR-DFZUHIOMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ophidiaster | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 796.183999999999
TPSA？: 168.94
MolLogP？: 8.250600000000007
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|