MONOPHOSPHORYL 3-DEACYL LIPID A AMMONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C82H154N2O20P.H4N
Molecular Weight	1537.1138
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MONOPHOSPHORYL 3-DEACYL LIPID A AMMONIUM

Structure Search

SMILES

[NH4+].CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChIKey=XERJCJBCCDONJL-WOBTUNBLSA-N

InChI=1S/C82H155N2O20P.H3N/c1-6-11-16-21-26-31-33-38-43-48-53-58-72(89)99-66(56-51-46-41-36-29-24-19-14-9-4)61-71(88)84-76-80(103-74(91)62-67(57-52-47-42-37-30-25-20-15-10-5)100-73(90)59-54-49-44-39-34-32-27-22-17-12-7-2)79(104-105(95,96)97)68(63-85)102-82(76)98-64-69-77(92)78(93)75(81(94)101-69)83-70(87)60-65(86)55-50-45-40-35-28-23-18-13-8-3;/h65-69,75-82,85-86,92-94H,6-64H2,1-5H3,(H,83,87)(H,84,88)(H2,95,96,97);1H3/t65-,66-,67-,68-,69-,75-,76-,77-,78-,79-,80-,81+,82-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C82H154N2O20P
Molecular Weight	1519.0753
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H4N
Molecular Weight	18.0385
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:15:43 GMT 2025` Edited by `admin` on `Wed Apr 02 06:15:43 GMT 2025`
Record UNII	Q4VSD9WE5I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONOPHOSPHORYL 3-DEACYL LIPID A AMMONIUM

Common Name

English

3D-PHAD

Preferred Name

English

MONOPHOSPHORYL 3-DEACYL LIPID A (SYNTHETIC)

Common Name

English

?-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-2-[[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]amino]-4-O-phosphono-?-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, ammonium salt (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

145721981

Created by admin on Wed Apr 02 06:15:43 GMT 2025 , Edited by admin on Wed Apr 02 06:15:43 GMT 2025

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CAS

1699735-79-9

Created by admin on Wed Apr 02 06:15:43 GMT 2025 , Edited by admin on Wed Apr 02 06:15:43 GMT 2025

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FDA UNII