2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol; (2S,3R,4E,8E,10E)-form, N-(2R-Hydroxytricosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286423
Synonym: Ophidiacerebroside D, Stellaster Cerebroside S-1-4
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]tricosanamide
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)CCCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C48H89NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-31-36-42(52)47(56)49-40(38-57-48-46(55)45(54)44(53)43(37-50)58-48)41(51)35-32-28-30-34-39(3)33-29-26-24-11-9-7-5-2/h29,32-35,40-46,48,50-55H,4-28,30-31,36-38H2,1-3H3,(H,49,56)/b33-29+,35-32+,39-34+
InChIKey: XNIMFYVRNMOOBY-TYVHJDSTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ophidiaster | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 824.2379999999988
TPSA？: 168.94
MolLogP？: 9.030800000000005
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|