CHEBI:221267 - Sipanmycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sipanmycin A
ChEBI ID CHEBI:221267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H71N3O8
Net Charge 0
Average Mass 794.087
Monoisotopic Mass 793.52412
InChI InChI=1S/C46H71N3O8/c1-30(2)26-36-27-33(5)19-13-12-16-25-45(8,52)38(22-15-14-18-31(3)20-17-21-32(4)23-24-34(6)48-43(36)51)57-44-40(47)41(50)37(29-54-44)56-39-28-46(9,53)42(49(10)11)35(7)55-39/h12-23,25,27,30,34-35,37-42,44,50,52-53H,24,26,28-29,47H2,1-11H3,(H,48,51)/b13-12+,18-14+,21-17+,22-15-,25-16+,31-20+,32-23+,33-19+,36-27+/t34-,35+,37+,38-,39-,40+,41-,42+,44-,45+,46+/m0/s1
InChIKey SCXSAOWAWJDUND-ZBTULVDDSA-N
SMILES O=C1N[C@H](CC=C(C=CC=C(C=CC=C[C@@H]([C@@](C=CC=CC=C(C=C1CC(C)C)C)(O)C)O[C@@H]2OC[C@@H](O[C@@H]3O[C@@H]([C@@H](N(C)C)[C@@](C3)(O)C)C)[C@@H]([C@H]2N)O)C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Streptomycesspecies CS149 (NCBI:txid2109332) See: PubMed
ChEBI Ontology
Outgoing Sipanmycin A (CHEBI:221267) is a aminoglycoside (CHEBI:47779)
IUPAC Names
(3E,5E,7E,9E,11R,12S,13Z,15E,17E,19E,21E,24S)-12-[(2S,3R,4R,5R)-3-amino-5-[(2S,4R,5R,6R)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-11-hydroxy-5,11,17,21,24-pentamethyl-3-(2-methylpropyl)-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
(3E,5E,7E,9E,11S,12R,13Z,15E,17E,19E,21E,24R)-12-[(2R,3S,4S,5S)-3-amino-5-[(2R,5R,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-11-hydroxy-5,11,17,21,24-pentamethyl-3-(2-methylpropyl)-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one