3-DEACYL-HEPTAACYL MONOPHOSPHORYL LIPID A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C110H207N2O23P
Molecular Weight	1956.7939
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-DEACYL-HEPTAACYL MONOPHOSPHORYL LIPID A

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)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](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

InChI

InChIKey=AJTUNRJTNFESSC-NNMYTHIJSA-N

InChI=1S/C110H207N2O23P/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-81-98(117)128-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(133-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(131-109(103)123)89-127-110-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)129-99(118)82-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)132-110)135-136(124,125)126)134-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)130-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122-123H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,124,125,126)/t90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109+,110-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C110H207N2O23P
Molecular Weight	1956.7939
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 12:48:11 GMT 2023` Edited by `admin` on `Sat Dec 16 12:48:11 GMT 2023`
Record UNII	JV5L1LI6CQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEACYL-HEPTAACYL MONOPHOSPHORYL LIPID A

Common Name

English

D-Glucose, 2-deoxy-6-O-[2-deoxy-2-[[1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-β-D-glucopyranosyl]-2-[[1-oxo-3-[(1-oxohexadecyl)oxy]tetradecyl]amino]-, 3-(3-hydroxytetradecanoate), [2(R),3(R

Systematic Name

English

COMPOUND 514

Code

English

HEPTAACYL MONOPHOSPHORYL LIPID A

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)-1-oxo-3-[(1-oxohexadecyl)oxy]tetradecyl]amino]-, 3-[(3R)-3-hydr

Systematic Name

English

Code System Code Type Description

FDA UNII

JV5L1LI6CQ