3-DEACYL-PENTAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C80H151N2O20P.C6H15N
Molecular Weight	1593.2201
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DEACYL-PENTAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Structure Search

SMILES

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

InChI

InChIKey=SCWYJUFFXXDERY-FOMLCKALSA-N

InChI=1S/C80H151N2O20P.C6H15N/c1-6-11-16-21-26-31-32-37-42-47-52-57-71(88)98-65(55-50-45-40-35-29-24-19-14-9-4)60-72(89)101-78-74(82-69(86)59-64(54-49-44-39-34-28-23-18-13-8-3)97-70(87)56-51-46-41-36-30-25-20-15-10-5)80(100-66(61-83)77(78)102-103(93,94)95)96-62-67-75(90)76(91)73(79(92)99-67)81-68(85)58-63(84)53-48-43-38-33-27-22-17-12-7-2;1-4-7(5-2)6-3/h63-67,73-80,83-84,90-92H,6-62H2,1-5H3,(H,81,85)(H,82,86)(H2,93,94,95);4-6H2,1-3H3/t63-,64-,65-,66-,67-,73-,74-,75-,76-,77-,78-,79+,80-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C80H151N2O20P
Molecular Weight	1492.0301
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 `Sat Dec 16 19:54:53 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:53 GMT 2023`
Record UNII	37VM6M97DC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEACYL-PENTAACYL MONOPHOSPHORYL LIPID A TRIETHYLAMINE

Common Name

English

α-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-β-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, compd. with N,N-diethylethan

Systematic Name

English

Code System Code Type Description

PUBCHEM

167713314

Created by admin on Sat Dec 16 19:54:53 GMT 2023 , Edited by admin on Sat Dec 16 19:54:53 GMT 2023

PRIMARY

CAS

220048-48-6

Created by admin on Sat Dec 16 19:54:53 GMT 2023 , Edited by admin on Sat Dec 16 19:54:53 GMT 2023

PRIMARY

FDA UNII