(2R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4R)-3,4-dihydroxy-15-methyl-2-octadecanamidohexadecyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
AlkaPlorer ID: AK555587
Synonym: None
IUPAC Name: 2-[[6-[3,4-dihydroxy-15-methyl-2-(octadecanoylamino)hexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Structure
SMILES: CCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(COC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCC(C)C
InChI: InChI=1S/C52H98N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-41(60)53-36(44(62)37(57)28-25-22-19-17-16-18-21-24-27-35(2)3)33-69-50-48(66)47(65)46(64)40(71-50)34-70-52(51(67)68)30-38(58)43(54-42(61)32-56)49(72-52)45(63)39(59)31-55/h35-40,43-50,55-59,62-66H,4-34H2,1-3H3,(H,53,60)(H,54,61)(H,67,68)
InChIKey: WBECGJUJSSIRMR-UHFFFAOYSA-N
Reference
Structure of Neuritogenic Active Ganglioside from the Sea CucumberStichopus japonicus
PubChem CID: 85175914
LOTUS: LTS0109802
COCONUT: CNP0249833.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Apostichopus japonicus | Apostichopus | Stichopodidae | Aspidochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1039.352
TPSA？: 341.70000000000005
MolLogP？: 4.654800000000007
Number of H-Donors: 13
Number of H-Acceptors: 17
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|