SDZ-MRL-953

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H92NO14P
Molecular Weight	938.2161
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

InChI

InChIKey=DRYNWBQTTUKLQD-STUKOUKJSA-N

InChI=1S/C48H92NO14P/c1-4-7-10-13-16-19-22-25-28-31-38(51)34-42(54)49-45-47(62-44(56)36-40(53)33-30-27-24-21-18-15-12-9-6-3)46(41(37-50)60-48(45)63-64(57,58)59)61-43(55)35-39(52)32-29-26-23-20-17-14-11-8-5-2/h38-41,45-48,50-53H,4-37H2,1-3H3,(H,49,54)(H2,57,58,59)/t38-,39-,40-,41-,45-,46-,47-,48-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H92NO14P
Molecular Weight	938.2161
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:21:38 UTC 2023` Edited by `admin` on `Sat Dec 16 20:21:38 UTC 2023`
Record UNII	D485355B9R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SDZ-MRL-953

Code

English

α-D-Glucopyranose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) 3,4-bis[(3R)-3-hydroxytetradecanoate]

Systematic Name

English

SDZ MRL 953

Code

English

α-D-Glucopyranose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 1-(dihydrogen phosphate) 3,4-bis(3-hydroxytetradecanoate), [2(R),3(R),4(R)]-

Systematic Name

English

{[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[(3R)-3-hydroxytetradecanamido]-4,5-bis({[(3R)-3-hydroxytetradecanoyl]oxy})oxan-2-yl]oxy}phosphonic acid

Systematic Name

English

[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-3-yl](3R)-3-hydroxytetradecanoate

Systematic Name

English

Code System Code Type Description

FDA UNII

D485355B9R

Created by admin on Sat Dec 16 20:21:38 UTC 2023 , Edited by admin on Sat Dec 16 20:21:38 UTC 2023

PRIMARY

CAS

123136-61-8

Created by admin on Sat Dec 16 20:21:38 UTC 2023 , Edited by admin on Sat Dec 16 20:21:38 UTC 2023

PRIMARY

PUBCHEM

164140

Created by admin on Sat Dec 16 20:21:38 UTC 2023 , Edited by admin on Sat Dec 16 20:21:38 UTC 2023

PRIMARY

Related Record Type Details


					72GWX3LU77

TOLL-LIKE RECEPTOR 4

TARGET -> AGONIST

Amount:

Related Record Type Details


					D485355B9R

SDZ-MRL-953

ACTIVE MOIETY

Amount: