Lipid A
AlkaPlorer ID: AK034436
Synonym: None
IUPAC Name: [(3R)-1-[[(2R,3R,4R,5S,6R)-6-[[(3R,4R,5S,6R)-4,5-dihydroxy-3-[[(3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoyl]amino]-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxodecan-3-yl] dodecanoate
Structure
SMILES: CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(O)C[C@@H](CCCCCCC)OC(=O)C[C@H](O)CCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](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)/t46-,47-,48-,49-,50-,51-,57-,58-,59-,60-,61-,62-,63?,64-/m1/s1
InChIKey: MNZSQEOUUWNMGH-MWLBTNMNSA-N
Reference
The Structure of Uncommon Lipid A from the Marine Bacterium Marinomonas communis ATCC 27118T
PubChem CID: 139583538
LOTUS: LTS0072705
{NPAtlas: NPA001584
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 |
|---|