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Details

Stereochemistry ABSOLUTE
Molecular Formula C94H177N2O22P
Molecular Weight 1718.3851
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LIPID A 504

SMILES

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](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O

InChI

InChIKey=YGPZYYDTPXVBRA-RTDBHSBRSA-N
InChI=1S/C94H177N2O22P/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)113-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)117-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)112-83(102)67-61-55-49-43-36-30-24-18-12-6)94(115-79(73-97)90(92)118-119(108,109)110)111-74-80-89(106)91(116-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(93(107)114-80)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106-107H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,108,109,110)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93+,94-/m1/s1

HIDE SMILES / InChI

Molecular Formula C94H177N2O22P
Molecular Weight 1718.3851
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 12:48:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:10 GMT 2023
Record UNII
Q2VF73396U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LIPID A 504
Common Name English
GLUCOPYRANOSYL LIPID ADJUVANT
Common Name English
.ALPHA.-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-.BETA.-D-GLUCOPYRANOSYL)-2-(((3R)-3-HYDROXY-1-OXOTETRADECYL)AMINO)-, 3-((3R)-3-HYDROXYTE
Systematic Name English
LA-15PH
Common Name English
GLA (ADJUVANT)
Common Name English
COMPOUND 504
Common Name English
TLC-3
Common Name English
HEXAACYL MONOPHOSPHORYL LIPID A
Common Name English
MONOPHOSPHORYL LIPID A (SYNTHETIC) FREE ACID
Common Name English
Code System Code Type Description
DAILYMED
Q2VF73396U
Created by admin on Sat Dec 16 12:48:10 GMT 2023 , Edited by admin on Sat Dec 16 12:48:10 GMT 2023
PRIMARY
PUBCHEM
10877033
Created by admin on Sat Dec 16 12:48:10 GMT 2023 , Edited by admin on Sat Dec 16 12:48:10 GMT 2023
PRIMARY
SMS_ID
300000047597
Created by admin on Sat Dec 16 12:48:10 GMT 2023 , Edited by admin on Sat Dec 16 12:48:10 GMT 2023
PRIMARY
FDA UNII
Q2VF73396U
Created by admin on Sat Dec 16 12:48:10 GMT 2023 , Edited by admin on Sat Dec 16 12:48:10 GMT 2023
PRIMARY
CAS
88598-53-2
Created by admin on Sat Dec 16 12:48:10 GMT 2023 , Edited by admin on Sat Dec 16 12:48:10 GMT 2023
PRIMARY
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ACTIVE MOIETY