3D-6A-MPLA free acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C96H181N2O21P
Molecular Weight	1730.4389
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=GQJJDLWSTDOFJY-OEHZVWPTSA-N

InChI=1S/C96H181N2O21P/c1-7-13-19-25-31-37-40-46-52-58-64-70-85(102)113-78(67-61-55-49-43-34-28-22-16-10-4)73-83(100)97-89-92(107)91(106)82(116-95(89)108)77-112-96-90(98-84(101)74-79(68-62-56-50-44-35-29-23-17-11-5)114-86(103)71-65-59-53-47-41-38-32-26-20-14-8-2)94(93(81(76-99)117-96)119-120(109,110)111)118-88(105)75-80(69-63-57-51-45-36-30-24-18-12-6)115-87(104)72-66-60-54-48-42-39-33-27-21-15-9-3/h78-82,89-96,99,106-108H,7-77H2,1-6H3,(H,97,100)(H,98,101)(H2,109,110,111)/t78-,79-,80-,81-,82-,89-,90-,91-,92-,93-,94-,95+,96-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3D-6A-MPLA free acid

Common Name

English

Monophosphoryl Hexa-acyl Lipid A, 3-Deacyl free acid (Synthetic)

Preferred 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)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]amino]-

Systematic Name

English

Code System Code Type Description

FDA UNII

Y244TF7T9P

Created by admin on Wed Apr 02 17:23:28 GMT 2025 , Edited by admin on Wed Apr 02 17:23:28 GMT 2025

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PUBCHEM

171320971

Created by admin on Wed Apr 02 17:23:28 GMT 2025 , Edited by admin on Wed Apr 02 17:23:28 GMT 2025

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CAS