2-Amino-9-methyl-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-(2R-Hydroxyeicosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286355
Synonym: Ircicerebroside
IUPAC Name: 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]icosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C(\C)CCCCCCCCC
InChI: InChI=1S/C45H85NO9/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/h29,31-32,37-43,45,47-52H,4-28,30,33-35H2,1-3H3,(H,46,53)/b32-29+,36-31+
InChIKey: RIXGKBAZZPCFNX-SROGISMXSA-N
Reference
CAS: 854008-50-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladiella sp. | Cladiella | Cladiellidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Lobophytum sp. | Lobophytum | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| None | Ircinia | Irciniidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 784.1729999999994
TPSA？: 168.94
MolLogP？: 8.084500000000014
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|