2-Amino-16-methyl-1,3,4-heptadecanetriol; (2S,3S,4R)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-galactopyranoside
AlkaPlorer ID: AK286268
Synonym: PNC 1-4a
IUPAC Name: N-[3,4-dihydroxy-16-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxydocosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC(C)C
InChI: InChI=1S/C46H91NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-39(50)45(55)47-37(35-56-46-44(54)43(53)42(52)40(34-48)57-46)41(51)38(49)32-29-26-23-21-18-19-22-25-28-31-36(2)3/h36-44,46,48-54H,4-35H2,1-3H3,(H,47,55)
InChIKey: MZMBEWKNTREMIR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Protoreaster nodosus | Protoreaster | Oreasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 818.2309999999997
TPSA？: 189.17
MolLogP？: 7.749300000000013
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|