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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H51N12O18P
Molecular Weight 910.7813
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADENYLYLSTREPTOMYCIN

SMILES

C[C@@]1([H])[C@](C=O)([C@]([H])([C@@]([H])(O1)O[C@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]2([H])O)O)NC(=N)N)O)NC(=N)N)O[C@@]3([H])[C@]([H])([C@@]([H])([C@]([H])([C@]([H])(CO)O3)O)OP(=O)(O)OC[C@]4([H])[C@]([H])([C@]([H])([C@]([H])(n5cnc6c(N)ncnc65)O4)O)O)NC)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 910.7813
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 Fri Jun 25 23:50:08 UTC 2021
Edited
by admin
on Fri Jun 25 23:50:08 UTC 2021
Record UNII
UC4TD900J8
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jun 25 23:50:08 UTC 2021 , Edited by admin on Fri Jun 25 23:50:08 UTC 2021
PRIMARY
PUBCHEM
440022
Created by admin on Fri Jun 25 23:50:08 UTC 2021 , Edited by admin on Fri Jun 25 23:50:08 UTC 2021
PRIMARY
FDA UNII
UC4TD900J8
Created by admin on Fri Jun 25 23:50:08 UTC 2021 , Edited by admin on Fri Jun 25 23:50:08 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Produced thru bacterial Adenyltrasferase.