2-Amino-1,3,4-heptadecanetriol; (2S,3S,4R)-form, N-(2R-Hydroxydocosanoyl), 1-O-[N-(2-hydroxyacetyl)-α-D-neuraminopyranosyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside]
AlkaPlorer ID: AK285560
Synonym: LLG-1
IUPAC Name: None
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC
InChI: InChI=1S/C62H116N2O24/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-42(70)58(80)63-40(49(74)41(69)32-30-28-26-24-22-14-12-10-8-6-4-2)39-83-59-53(78)52(77)55(46(37-67)85-59)86-60-54(79)57(51(76)45(36-66)84-60)88-62(61(81)82)34-43(71)48(64-47(73)38-68)56(87-62)50(75)44(72)35-65/h40-46,48-57,59-60,65-72,74-79H,3-39H2,1-2H3,(H,63,80)(H,64,73)(H,81,82)
InChIKey: FDEDDHXHKSUTBB-UHFFFAOYSA-N
Reference
CAS: 69345-49-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Linckia laevigata | Linckia | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1273.600000000001
TPSA？: 434.10000000000014
MolLogP？: 1.4737000000000064
Number of H-Donors: 17
Number of H-Acceptors: 23
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|