3-DEACYL-PENTAACYL MONOPHOSPHORYL LIPID A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C82H155N2O20P
Molecular Weight	1520.0833
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DEACYL-PENTAACYL MONOPHOSPHORYL LIPID A

Structure Search

SMILES

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=DZFRUNNJBVBICT-HNDCTDFDSA-N

InChI=1S/C82H155N2O20P/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)/t65-,66-,67-,68-,69-,75-,76-,77-,78-,79-,80-,81+,82-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C82H155N2O20P
Molecular Weight	1520.0833
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:48:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:48:22 GMT 2025`
Record UNII	48XF5E5EUK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEACYL-PENTAACYL MONOPHOSPHORYL LIPID A

Common Name

English

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

Preferred Name

English

3D-PHAD free acid

Brand Name

English

Code System Code Type Description

FDA UNII

48XF5E5EUK

Created by admin on Tue Apr 01 19:48:22 GMT 2025 , Edited by admin on Tue Apr 01 19:48:22 GMT 2025

PRIMARY

PUBCHEM

126480314