2-Amino-14-methyl-1,3,4-hexadecanetriol; (2S,3S,4R,14ξ)-form, N-(2R-Hydroxydocosanoyl), 1-O-[N-(α-L-fucopyranosyloxy)acetyl-α-D-neuraminopyranosyl-(2→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK286298
Synonym: CEG 5
IUPAC Name: 2-[[6-[3,4-dihydroxy-2-(2-hydroxydocosanoylamino)-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyacetyl]amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(COC2(C(=O)O)CC(O)C(NC(=O)COC3OC(C)C(O)C(O)C3O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCC(C)CC
InChI: InChI=1S/C62H116N2O23/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-43(67)58(79)63-41(50(72)42(66)32-29-26-24-21-22-25-28-31-39(3)6-2)36-82-60-56(78)54(76)52(74)46(86-60)37-84-62(61(80)81)34-44(68)48(57(87-62)51(73)45(69)35-65)64-47(70)38-83-59-55(77)53(75)49(71)40(4)85-59/h39-46,48-57,59-60,65-69,71-78H,5-38H2,1-4H3,(H,63,79)(H,64,70)(H,80,81)
InChIKey: ZCBGDQQRWUVDBN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cucumaria echinata | Cucumaria | Cucumariidae | Dendrochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1257.601000000001
TPSA？: 413.8700000000001
MolLogP？: 2.357200000000008
Number of H-Donors: 16
Number of H-Acceptors: 22
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|