3''-adenylylstreptomycin (CHEBI:29076)

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CHEBI:29076 - 3''-adenylylstreptomycin

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ChEBI ID	CHEBI:29076
ChEBI Name	3''-adenylylstreptomycin
Stars
Secondary ChEBI IDs	CHEBI:1316, CHEBI:11667, CHEBI:19819
Last Modified	18 October 2018
Downloads	Molfile

Formula	C31H51N12O18P
Net Charge	0
Average Mass	910.789
Monoisotopic Mass	910.31819
SMILES	CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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

Roles Classification

Biological Role:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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 Xrefs	Databases
C03462	KEGG COMPOUND