2-Amino-14-methyl-1,3,4-hexadecanetriol; (2S,3S,4R,14ξ)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286300
Synonym: CE 3-2
IUPAC Name: N-[3,4-dihydroxy-14-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxydocosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCC(C)CC
InChI: InChI=1S/C45H89NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-23-20-21-24-27-30-35(3)5-2/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)
InChIKey: YCNJUALTJHZPNL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cucumaria echinata | Cucumaria | Cucumariidae | Dendrochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 804.2039999999997
TPSA？: 192.66
MolLogP？: 8.199500000000015
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|