2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol; (2S,3R,4E,8E,10E)-form, N-(2R-Hydroxyeicosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286409
Synonym: Ophidiacerebroside A
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]icosanamide
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)CCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C45H83NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-21-11-9-7-5-2/h26,29-32,37-43,45,47-52H,4-25,27-28,33-35H2,1-3H3,(H,46,53)/b30-26+,32-29+,36-31+
InChIKey: HXERECODZWDGTP-DLKCIXKASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ophidiaster | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 782.156999999999
TPSA？: 168.94
MolLogP？: 7.860500000000009
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|