2-Amino-1,3,4-heptadecanetriol; (2S,3S,4R)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-galactopyranoside
AlkaPlorer ID: AK285559
Synonym: PNC 1-3a
IUPAC Name: N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxydocosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC
InChI: InChI=1S/C45H89NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-14-12-10-8-6-4-2/h36-43,45,47-53H,3-35H2,1-2H3,(H,46,54)
InChIKey: YKXRYBDEVKVZKS-UHFFFAOYSA-N
Reference
Identification of Sixteen New Galactocerebrosides from the Starfish Protoreaster nodosus
PubChem CID: 14586578
LOTUS: LTS0163569
COCONUT: CNP0216535.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Protoreaster nodosus | Protoreaster | Oreasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 804.2039999999996
TPSA？: 192.66
MolLogP？: 8.343600000000013
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|