2-Amino-14-methyl-1,3,4-hexadecanetriol; (2S,3S,4R,14ξ)-form, N-(2R-Hydroxytetracosanoyl), 1-O-[α-L-fucopyranosyl-(1→4)-N-acetyl-α-D-neuraminopyranosyl-(2→2')-N-glycolyl-α-D-neuraminopyranosyl-(2→4)-N-acetyl-α-D-neuraminopyranosyl-(2→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK286301
Synonym: HPG 7
IUPAC Name: 2-[5-acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxytetracosanoylamino)-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-5-[[2-[5-acetamido-2-carboxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxyacetyl]amino]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(NC(=O)COC4(C(=O)O)CC(OC5OC(C)C(O)C(O)C5O)C(NC(C)=O)C(C(O)C(O)CO)O4)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/C86H154N4O39/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-34-37-53(97)78(113)89-51(66(104)52(96)36-33-30-28-25-26-29-32-35-47(3)8-2)44-120-79-73(111)72(110)70(108)60(125-79)45-121-85(82(116)117)40-59(64(88-50(6)95)77(128-85)69(107)57(101)43-93)126-86(83(118)119)38-54(98)62(75(129-86)67(105)55(99)41-91)90-61(102)46-122-84(81(114)115)39-58(124-80-74(112)71(109)65(103)48(4)123-80)63(87-49(5)94)76(127-84)68(106)56(100)42-92/h47-48,51-60,62-77,79-80,91-93,96-101,103-112H,7-46H2,1-6H3,(H,87,94)(H,88,95)(H,89,113)(H,90,102)(H,114,115)(H,116,117)(H,118,119)
InChIKey: ANXGVIGSDHQXIJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holothuria pervicax | Holothuria | Holothuriidae | Aspidochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1868.1670000000013
TPSA？: 704.9700000000004
MolLogP？: -2.515000000000017
Number of H-Donors: 26
Number of H-Acceptors: 36
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|