2-Amino-14-methyl-1,3,4-hexadecanetriol; (2S,3S,4R,14ξ)-form, N-Docosanoyl, 1-O-[α-L-fucopyranosyl-(1→2')-N-glycolyl-α-D-neuraminopyranosyl-(2→4)-N-acetyl-α-D-neuraminopyranosyl-(2→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK286296
Synonym: HLG 3
IUPAC Name: None
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(NC(=O)COC4OC(C)C(O)C(O)C4O)C(C(O)C(O)CO)O3)C(NC(C)=O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCC(C)CC
InChI: InChI=1S/C73H133N3O30/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-53(84)75-46(58(87)47(80)34-31-28-25-23-24-27-30-33-43(3)7-2)40-99-69-65(94)63(92)61(90)52(103-69)41-101-72(70(95)96)37-51(56(74-45(5)79)67(105-72)60(89)50(83)39-78)104-73(71(97)98)36-48(81)55(66(106-73)59(88)49(82)38-77)76-54(85)42-100-68-64(93)62(91)57(86)44(4)102-68/h43-44,46-52,55-69,77-78,80-83,86-94H,6-42H2,1-5H3,(H,74,79)(H,75,84)(H,76,85)(H,95,96)(H,97,98)
InChIKey: RIYYZLVJTPPMKR-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cucumaria echinata | Cucumaria | Cucumariidae | Dendrochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1532.8580000000013
TPSA？: 539.1900000000002
MolLogP？: 0.5601999999999883
Number of H-Donors: 20
Number of H-Acceptors: 28
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|