2-Amino-15-methyl-1,3,4-hexadecanetriol; (2S,3S,4R)-form, N-(2R-Hydroxydocosanoyl), 1-O-[α-L-arabinofuranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-N-acetyl-α-D-neuraminosyl-(2→6)-β-D-galactofuranosyl-(1→3)-[α-L-arabinofuranosyl-(1→4)]-α-D-galactopyranosyl-(1→4)-N-acetyl-α-D-neuraminosyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside]
AlkaPlorer ID: AK286305
Synonym: Ganglioside GP3, GP3
IUPAC Name: 5-acetamido-2-[2-[5-[2-[5-acetamido-2-carboxy-2-[2-[6-[3,4-dihydroxy-2-(2-hydroxydocosanoylamino)-15-methylhexadecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]-4-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(OC4OC(CO)C(OC5OC(CO)C(O)C5O)C(OC5OC(C(O)COC6(C(=O)O)CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C8O)C7O)C(NC(C)=O)C(C(O)C(O)CO)O6)C(O)C5O)C4O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCC(C)C
InChI: InChI=1S/C101H179N3O54/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-52(116)90(136)104-50(66(120)51(115)33-30-27-24-22-21-23-26-29-32-47(2)3)45-141-91-77(131)74(128)83(62(43-111)149-91)152-97-80(134)88(72(126)61(42-110)148-97)158-101(99(139)140)36-57(65(103-49(5)114)86(157-101)68(122)54(118)38-106)144-96-81(135)89(84(63(44-112)150-96)153-92-75(129)69(123)58(39-107)145-92)155-94-78(132)73(127)82(151-94)55(119)46-142-100(98(137)138)35-56(64(102-48(4)113)85(156-100)67(121)53(117)37-105)143-95-79(133)87(71(125)60(41-109)147-95)154-93-76(130)70(124)59(40-108)146-93/h47,50-89,91-97,105-112,115-135H,6-46H2,1-5H3,(H,102,113)(H,103,114)(H,104,136)(H,137,138)(H,139,140)
InChIKey: FWPVSJXCDGALMV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Asterina | Asterinaceae | Asterinales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 2299.5100000000007
TPSA？: 914.7100000000006
MolLogP？: -10.069800000000017
Number of H-Donors: 34
Number of H-Acceptors: 52
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|