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Details

Stereochemistry ABSOLUTE
Molecular Formula C90H172N3O28P3
Molecular Weight 1837.2533
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phosphoethanolamine (PEA)-diphosphoryl hexa-acylated lipid A (4C12:2C14) from Neisseria gonorrhoeae strain FA-1090

SMILES

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](OC(=O)C[C@H](O)CCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChIKey=IPEIFJWCCTYEHZ-CMZPWNQASA-N
InChI=1S/C90H172N3O28P3/c1-7-13-19-25-31-35-41-47-53-59-73(113-79(99)61-55-49-43-37-33-27-21-15-9-3)67-77(97)92-83-87(117-81(101)65-71(95)57-51-45-39-29-23-17-11-5)85(103)76(116-90(83)120-122(104,105)106)70-111-89-84(93-78(98)68-74(60-54-48-42-36-32-26-20-14-8-2)114-80(100)62-56-50-44-38-34-28-22-16-10-4)88(118-82(102)66-72(96)58-52-46-40-30-24-18-12-6)86(75(69-94)115-89)119-124(109,110)121-123(107,108)112-64-63-91/h71-76,83-90,94-96,103H,7-70,91H2,1-6H3,(H,92,97)(H,93,98)(H,107,108)(H,109,110)(H2,104,105,106)/t71-,72-,73-,74-,75-,76-,83-,84-,85-,86-,87-,88-,89-,90-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Phosphoethanolamine (PEA)-diphosphoryl hexa-acylated lipid A (4C12:2C14) from Neisseria gonorrhoeae strain FA-1090
Common Name English
Lipid A from Neisseria gonorrhoeae strain FA-1090 component Ethylamino(hydroxy)phosphoryl-hydroxyphosphoryl hexa-acylated lipid A (4C12:2C14) phosphate
Common Name English
Ethylamino(hydroxy)phosphoryl-hydroxyphosphoryl hexa-acylated lipid A (4C12:2C14) phosphate from Neisseria gonorrhoeae strain FA-1090
Common Name English
β-D-Glucopyranose, 6-O-[4-O-(6-amino-1,3-dihydroxy-1,3-dioxido-2,4-dioxa-1,3-diphosphahex-1-yl)-2-deoxy-3-O-(3R-hydroxy-1-oxododecyl)-2-[[1-oxo-3R-[(1-oxododecyl)oxy]tetradecyl]amino]-β-D-glucopyranosyl]-2-deoxy-2-[[1-oxo-3R-[(1-oxododecyl)oxy]tetradec
Systematic Name English
Code System Code Type Description
FDA UNII
MMA7454LWJ
Created by admin on Sat Dec 16 19:52:13 GMT 2023 , Edited by admin on Sat Dec 16 19:52:13 GMT 2023
PRIMARY
PUBCHEM
168429539
Created by admin on Sat Dec 16 19:52:13 GMT 2023 , Edited by admin on Sat Dec 16 19:52:13 GMT 2023
PRIMARY