U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of ADENYLYLSTREPTOMYCIN

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

Approval Year

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 GMT 2023 , Edited by admin on Sat Dec 16 13:43:56 GMT 2023
PRIMARY
PUBCHEM
440022
Created by admin on Sat Dec 16 13:43:56 GMT 2023 , Edited by admin on Sat Dec 16 13:43:56 GMT 2023
PRIMARY
FDA UNII
UC4TD900J8
Created by admin on Sat Dec 16 13:43:56 GMT 2023 , Edited by admin on Sat Dec 16 13:43:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90110010
Created by admin on Sat Dec 16 13:43:56 GMT 2023 , Edited by admin on Sat Dec 16 13:43:56 GMT 2023
PRIMARY