2-Amino-6-octadecene-1,3,4-triol; (2S,3S,4R,6E)-form, N-(2R-Hydroxydocosanoyl), 1-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK286865
Synonym: Amphiceramide A
IUPAC Name: None
Structure
SMILES: CCCCCCCCCCC/C=C/CC(O)C(O)C(COC1OC(COC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C54H102N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(60)52(67)56-40(46(61)41(59)34-32-30-28-26-24-17-15-13-11-9-7-5-2)37-68-54-51(66)50(65)48(63)44(71-54)38-69-53-45(55-39(3)58)49(64)47(62)43(36-57)70-53/h30,32,40-51,53-54,57,59-66H,4-29,31,33-38H2,1-3H3,(H,55,58)(H,56,67)/b32-30+
InChIKey: HCXTUVDHEMFDJT-NHQGMKOOSA-N
Reference
CAS: 1162259-40-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amphimedon compressa | Amphimedon | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1019.4089999999992
TPSA？: 277.19
MolLogP？: 5.637400000000007
Number of H-Donors: 11
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|