3-DEACYL-TETRAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H125N2O19P.C6H15N
Molecular Weight	1382.8645
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DEACYL-TETRAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Structure Search

SMILES

CCN(CC)CC.CCCCCCCCCCC[C@@H](O)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](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1O

InChI

InChIKey=DYBYEGFCWOGOHP-IFKTURNYSA-N

InChI=1S/C66H125N2O19P.C6H15N/c1-5-9-13-17-21-25-29-33-37-41-50(70)45-55(72)67-59-62(77)61(76)54(84-65(59)78)49-82-66-60(64(63(53(48-69)85-66)87-88(79,80)81)86-58(75)46-51(71)42-38-34-30-26-22-18-14-10-6-2)68-56(73)47-52(43-39-35-31-27-23-19-15-11-7-3)83-57(74)44-40-36-32-28-24-20-16-12-8-4;1-4-7(5-2)6-3/h50-54,59-66,69-71,76-78H,5-49H2,1-4H3,(H,67,72)(H,68,73)(H2,79,80,81);4-6H2,1-3H3/t50-,51-,52-,53-,54-,59-,60-,61-,62-,63-,64-,65+,66-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C66H125N2O19P
Molecular Weight	1281.6745
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 19:48:42 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:42 GMT 2023`
Record UNII	AU35GGX7Q2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEACYL-TETRAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

AU35GGX7Q2

Created by admin on Sat Dec 16 19:48:42 GMT 2023 , Edited by admin on Sat Dec 16 19:48:42 GMT 2023

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PUBCHEM

167713285

Created by admin on Sat Dec 16 19:48:42 GMT 2023 , Edited by admin on Sat Dec 16 19:48:42 GMT 2023

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