({6-[({3-[3-(hexadecanoyloxy)-15-methylhexadecanamido]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-5-hydroxy-3-(3-hydroxy-15-methylhexadecanamido)-4-[(3-hydroxyhexadecanoyl)oxy]oxan-2-yl}oxy)phosphonic acid
AlkaPlorer ID: AK490220
Synonym: None
IUPAC Name: [2-[[3-[(3-hexadecanoyloxy-15-methylhexadecanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxy-5-[(3-hydroxy-15-methylhexadecanoyl)amino]-6-phosphonooxyoxan-4-yl] 3-hydroxyhexadecanoate
Structure
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)C(N=C(O)CC(O)CCCCCCCCCCCC(C)C)C(OC(=O)CC(O)CCCCCCCCCCCCC)C2O)OC(CO)C(O)C1O
InChI: InChI=1S/C78H149N2O19P/c1-7-9-11-13-15-17-19-20-22-30-36-42-48-54-69(86)95-64(53-47-41-35-29-24-26-32-38-44-50-61(5)6)57-68(85)79-71-75(90)73(88)65(58-81)96-77(71)94-59-66-74(89)76(98-70(87)56-63(83)52-46-40-34-27-21-18-16-14-12-10-8-2)72(78(97-66)99-100(91,92)93)80-67(84)55-62(82)51-45-39-33-28-23-25-31-37-43-49-60(3)4/h60-66,71-78,81-83,88-90H,7-59H2,1-6H3,(H,79,85)(H,80,84)(H2,91,92,93)
InChIKey: PLELIMGHEDFXFZ-UHFFFAOYSA-N
Reference
Structural study on the free lipid A isolated from lipopolysaccharide of Porphyromonas gingivalis
PubChem CID: 162851940
LOTUS: LTS0028702
COCONUT: CNP0114327.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Porphyromonas gingivalis | Porphyromonas | Porphyromonadaceae | Bacteroidales | Bacteroidia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 1450.0190000000007
TPSA？: 333.61000000000007
MolLogP？: 17.079599999999974
Number of H-Donors: 10
Number of H-Acceptors: 17
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|