CHEBI:29076 - 3''-adenylylstreptomycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3''-adenylylstreptomycin
ChEBI ID CHEBI:29076
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1316, CHEBI:11667, CHEBI:19819
Supplier Information
Download Molfile XML SDF
Formulae C31H51N12O18P
C31H51N12O18P
Net Charge 0
Average Mass 910.78000
Monoisotopic Mass 910.31819
InChI 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
InChIKey XXCKFFAFJMNLBC-YSLWDUGSSA-N
SMILES CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via carbohydrate-containing antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3''-adenylylstreptomycin (CHEBI:29076) has functional parent streptomycin (CHEBI:17076)
3''-adenylylstreptomycin (CHEBI:29076) is a adenosine 5'-phosphate (CHEBI:37096)
3''-adenylylstreptomycin (CHEBI:29076) is a aldehyde (CHEBI:17478)
3''-adenylylstreptomycin (CHEBI:29076) is a guanidines (CHEBI:24436)
3''-adenylylstreptomycin (CHEBI:29076) is a nucleotide-oligosaccharide (CHEBI:35244)
3''-adenylylstreptomycin (CHEBI:29076) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
3''-adenylylstreptomycin (CHEBI:29076) is a streptomycin phosphate (CHEBI:26787)
3''-adenylylstreptomycin (CHEBI:29076) is conjugate base of 3''-adenylylstreptomycin(2+) (CHEBI:58605)
Incoming 3''-adenylylstreptomycin(2+) (CHEBI:58605) is conjugate acid of 3''-adenylylstreptomycin (CHEBI:29076)
IUPAC Name
[3-(5'-adenylyl)-2-deoxy-2-(dimethylamino)-α-L-glucopyranosyl]-(1→2)-[5-deoxy-3-C-formyl-α-L-lyxofuranosyl]-(1→4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}
Synonym Source
3''-Adenylylstreptomycin KEGG COMPOUND
Manual Xref Database
C03462 KEGG COMPOUND
View more database links
Last Modified
18 October 2018