N-MONODEMETHYLACLACINOMYCIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H51NO15
Molecular Weight	797.8413
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-MONODEMETHYLACLACINOMYCIN A

Structure Search

SMILES

[H][C@@]1(CCC(=O)[C@H](C)O1)O[C@H]2[C@@H](O)C[C@]([H])(O[C@@H]3[C@H](C)O[C@]([H])(C[C@@H]3NC)O[C@H]4C[C@](O)(CC)[C@H](C(=O)OC)C5=CC6=C(C(=O)C7=C(O)C=CC=C7C6=O)C(O)=C45)O[C@H]2C

InChI

InChIKey=AQTCLQLBOGABRV-UFJKXKKKSA-N

InChI=1S/C41H51NO15/c1-7-41(50)16-27(32-21(34(41)40(49)51-6)13-22-33(37(32)48)36(47)31-20(35(22)46)9-8-10-25(31)44)55-29-14-23(42-5)38(18(3)53-29)57-30-15-26(45)39(19(4)54-30)56-28-12-11-24(43)17(2)52-28/h8-10,13,17-19,23,26-30,34,38-39,42,44-45,48,50H,7,11-12,14-16H2,1-6H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H51NO15
Molecular Weight	797.8413
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 09:22:07 GMT 2023` Edited by `admin` on `Sat Dec 16 09:22:07 GMT 2023`
Record UNII	R992SD6O2C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-MONODEMETHYLACLACINOMYCIN A

Common Name

English

ANTIBIOTIC MA 144L1

Code

English

1-NAPHTHACENECARBOXYLIC ACID, 2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,5,7-TRIHYDROXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-4-O-((2R,6S)-TETRAHYDRO-6-METHYL-5-OXO-2H-PYRAN-2-YL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-3-(METHYLAMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)

Systematic Name

English

MA-144L1

Code

English

1-NAPHTHACENECARBOXYLIC ACID, 2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,5,7-TRIHYDROXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-4-O-((2R-TRANS)-TETRAHYDRO-6-METHYL-5-OXO-2H-PYRAN-2-YL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-3-(METHYLAMINO)-.ALPHA.-L-LYXO-HEXOPYRANOS

Systematic Name

English

Code System Code Type Description

PUBCHEM

150200

Created by admin on Sat Dec 16 09:22:07 GMT 2023 , Edited by admin on Sat Dec 16 09:22:07 GMT 2023

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CAS

64431-58-9

Created by admin on Sat Dec 16 09:22:07 GMT 2023 , Edited by admin on Sat Dec 16 09:22:07 GMT 2023

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EPA CompTox

DTXSID00214685

Created by admin on Sat Dec 16 09:22:07 GMT 2023 , Edited by admin on Sat Dec 16 09:22:07 GMT 2023

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FDA UNII

R992SD6O2C

Created by admin on Sat Dec 16 09:22:07 GMT 2023 , Edited by admin on Sat Dec 16 09:22:07 GMT 2023

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