Diphosphoryl hexa-acylated lipid A (4C12:2C14) from Neisseria gonorrhoeae strain FA-1090

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C88H166N2O25P2
Molecular Weight	1714.2056
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Diphosphoryl hexa-acylated lipid A (4C12:2C14) from Neisseria gonorrhoeae strain FA-1090

Structure Search

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)=O)[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=SWRJHGCTVNUMIJ-JBCGXEBKSA-N

InChI=1S/C88H166N2O25P2/c1-7-13-19-25-31-35-41-47-53-59-71(108-77(96)61-55-49-43-37-33-27-21-15-9-3)65-75(94)89-81-85(112-79(98)63-69(92)57-51-45-39-29-23-17-11-5)83(100)74(111-88(81)115-117(104,105)106)68-107-87-82(86(84(73(67-91)110-87)114-116(101,102)103)113-80(99)64-70(93)58-52-46-40-30-24-18-12-6)90-76(95)66-72(60-54-48-42-36-32-26-20-14-8-2)109-78(97)62-56-50-44-38-34-28-22-16-10-4/h69-74,81-88,91-93,100H,7-68H2,1-6H3,(H,89,94)(H,90,95)(H2,101,102,103)(H2,104,105,106)/t69-,70-,71-,72-,73-,74-,81-,82-,83-,84-,85-,86-,87-,88-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C88H166N2O25P2
Molecular Weight	1714.2056
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:51:14 GMT 2023` Edited by `admin` on `Sat Dec 16 19:51:14 GMT 2023`
Record UNII	8D3M27FU2U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diphosphoryl hexa-acylated lipid A (4C12:2C14) from Neisseria gonorrhoeae strain FA-1090

Common Name

English

2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-hydroxy-1-oxododecyl]-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-, 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxydodecanoate

Systematic Name

English

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

Systematic Name

English

Lipid A from Neisseria gonorrhoeae strain FA-1090 component diphosphoryl hexa-acylated lipid A (4C12:2C14)

Common Name

English

Code System Code Type Description

CAS

770734-61-7

Created by admin on Sat Dec 16 19:51:14 GMT 2023 , Edited by admin on Sat Dec 16 19:51:14 GMT 2023

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PUBCHEM

24774162

Created by admin on Sat Dec 16 19:51:14 GMT 2023 , Edited by admin on Sat Dec 16 19:51:14 GMT 2023

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FDA UNII

8D3M27FU2U

Created by admin on Sat Dec 16 19:51:14 GMT 2023 , Edited by admin on Sat Dec 16 19:51:14 GMT 2023

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