ADENYLYLSTREPTOMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H51N12O18P
Molecular Weight	910.78
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]5(O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=NC4=C3N=CN=C4N)[C@@H]1NC)[C@H](O[C@@]6([H])[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]6NC(N)=N)O[C@@H](C)[C@]5(O)C=O

InChI

InChIKey=XXCKFFAFJMNLBC-YSLWDUGSSA-N

InChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21+,22-,23-,26+,27-,28-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H51N12O18P
Molecular Weight	910.78
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:43:56 UTC 2023` Edited by `admin` on `Sat Dec 16 13:43:56 UTC 2023`
Record UNII	UC4TD900J8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADENYLYLSTREPTOMYCIN

Common Name

English

STREPTOMYCIN, MONOESTER WITH 5'-ADENYLIC ACID

Common Name

English

O-3-ADENYLATE

Common Name

English

D-STREPTAMINE, O-3-O-5'-ADENYLYL-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N1,N3-BIS(AMINOIMINOMETHYL)-

Systematic Name

English

Code System Code Type Description

CAS

22169-43-3

Created by admin on Sat Dec 16 13:43:56 UTC 2023 , Edited by admin on Sat Dec 16 13:43:56 UTC 2023

PRIMARY

PUBCHEM

440022

Created by admin on Sat Dec 16 13:43:56 UTC 2023 , Edited by admin on Sat Dec 16 13:43:56 UTC 2023

PRIMARY

FDA UNII

UC4TD900J8

Created by admin on Sat Dec 16 13:43:56 UTC 2023 , Edited by admin on Sat Dec 16 13:43:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID90110010

Created by admin on Sat Dec 16 13:43:56 UTC 2023 , Edited by admin on Sat Dec 16 13:43:56 UTC 2023

PRIMARY

Related Record Type Details


					Y45QSO73OB

STREPTOMYCIN

PARENT -> METABOLITE

Comments:

Produced thru bacterial Adenyltrasferase.