Porphyromonas gingivalis 381 Lipid A
AlkaPlorer ID: AK304470
Synonym: None
IUPAC Name: [1-[[2-[[3,4-dihydroxy-5-[(3-hydroxy-15-methylhexadecanoyl)amino]-6-phosphonooxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-15-methyl-1-oxohexadecan-3-yl] hexadecanoate
Structure
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)NC1C(OCC2OC(OP(=O)(O)O)C(NC(=O)CC(O)CCCCCCCCCCCC(C)C)C(O)C2O)OC(CO)C(O)C1O
InChI: InChI=1S/C62H119N2O17P/c1-6-7-8-9-10-11-12-13-14-21-26-31-36-41-54(69)78-49(40-35-30-25-20-16-18-23-28-33-38-47(4)5)43-53(68)64-55-59(72)57(70)50(44-65)79-61(55)77-45-51-58(71)60(73)56(62(80-51)81-82(74,75)76)63-52(67)42-48(66)39-34-29-24-19-15-17-22-27-32-37-46(2)3/h46-51,55-62,65-66,70-73H,6-45H2,1-5H3,(H,63,67)(H,64,68)(H2,74,75,76)
InChIKey: BZFAHFKJTRSIHL-UHFFFAOYSA-N
Reference
CAS: 151392-00-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Porphyromonas gingivalis | Porphyromonas | Porphyromonadaceae | Bacteroidales | Bacteroidia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 1195.6050000000005
TPSA？: 300.33000000000004
MolLogP？: 10.39599999999999
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|