3-DEACYL-HEXAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C94H177N2O21P.C6H15N
Molecular Weight	1803.5757
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DEACYL-HEXAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Structure Search

SMILES

CCN(CC)CC.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)CCCCCCCCCCC)[C@@H](O)[C@@H]1O

InChI

InChIKey=PQXWDWPPQMTAJE-VCOYHTKGSA-N

InChI=1S/C94H177N2O21P.C6H15N/c1-7-13-19-25-31-37-39-45-51-57-63-68-83(100)111-76(65-59-53-47-41-33-27-21-15-9-3)71-81(98)95-87-90(105)89(104)80(114-93(87)106)75-110-94-88(96-82(99)72-77(66-60-54-48-42-34-28-22-16-10-4)112-84(101)69-62-56-50-44-36-30-24-18-12-6)92(91(79(74-97)115-94)117-118(107,108)109)116-86(103)73-78(67-61-55-49-43-35-29-23-17-11-5)113-85(102)70-64-58-52-46-40-38-32-26-20-14-8-2;1-4-7(5-2)6-3/h76-80,87-94,97,104-106H,7-75H2,1-6H3,(H,95,98)(H,96,99)(H2,107,108,109);4-6H2,1-3H3/t76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93+,94-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C94H177N2O21P
Molecular Weight	1702.3857
Charge	0
Count

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

Molecular Formula	C6H15N
Molecular Weight	101.19
Charge	0
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 `Sat Dec 16 19:50:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:50:07 GMT 2023`
Record UNII	HW5A3G68YN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEACYL-HEXAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Common Name

English

D-Glucose, 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-β-D-glucopyranosyl]-2-[[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]amino]-, triethylamine salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

167713297

Created by admin on Sat Dec 16 19:50:07 GMT 2023 , Edited by admin on Sat Dec 16 19:50:07 GMT 2023

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FDA UNII

HW5A3G68YN

Created by admin on Sat Dec 16 19:50:07 GMT 2023 , Edited by admin on Sat Dec 16 19:50:07 GMT 2023

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