Lipid A
AlkaPlorer ID: AK458014
Synonym: None
IUPAC Name: [1-[[6-[[4,5-dihydroxy-3-[3-(3-hydroxydecanoyloxy)decanoylamino]-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-(3-hydroxydecanoyloxy)-2-phosphonooxyoxan-3-yl]amino]-1-oxodecan-3-yl] dodecanoate
Structure
SMILES: CCCCCCCCCCCC(=O)OC(CCCCCCC)CC(O)=NC1C(OP(=O)(O)O)OC(COC2OC(CO)C(O)C(O)C2N=C(O)CC(CCCCCCC)OC(=O)CC(O)CCCCCCC)C(O)C1OC(=O)CC(O)CCCCCCC
InChI: InChI=1S/C64H119N2O21P/c1-6-11-16-21-22-23-24-29-34-39-54(72)82-48(37-32-27-19-14-9-4)42-53(71)66-58-62(86-56(74)41-47(69)36-31-26-18-13-8-3)60(76)51(85-64(58)87-88(78,79)80)45-81-63-57(61(77)59(75)50(44-67)84-63)65-52(70)43-49(38-33-28-20-15-10-5)83-55(73)40-46(68)35-30-25-17-12-7-2/h46-51,57-64,67-69,75-77H,6-45H2,1-5H3,(H,65,70)(H,66,71)(H2,78,79,80)
InChIKey: MNZSQEOUUWNMGH-UHFFFAOYSA-N
Reference
The Structure of Uncommon Lipid A from the Marine Bacterium Marinomonas communis ATCC 27118T
PubChem CID: 163062994
LOTUS: LTS0048381
COCONUT: CNP0353215.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marinomonas communis | Marinomonas | Oceanospirillaceae | Oceanospirillales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1283.6229999999998
TPSA？: 359.91
MolLogP？: 10.667799999999993
Number of H-Donors: 10
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|