CHEBI:223235 - Partricin B

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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 Partricin B
ChEBI ID CHEBI:223235
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C58H84N2O19
Net Charge 0
Average Mass 1113.305
Monoisotopic Mass 1112.56683
InChI InChI=1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)/b5-4-,8-6-,9-7-,12-10-,13-11-,16-14-,17-15-/t34-,35-,36-,39-,40+,41-,43-,44-,45-,46+,48+,49+,51-,52-,53+,54-,55-,57-,58-/m1/s1
InChIKey NVJUPMZQNWDHTL-PXBQHEDCSA-N
SMILES O=C1O[C@H]([C@@H](C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@H]2O[C@@H]([C@H](O)[C@H]([C@H]2O)N)C)C[C@@H]3O[C@@](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CC(C[C@H](C1)O)=O)O)O)O)O)(O)C[C@H](O)[C@H]3C(=O)O)C)[C@@H](CC[C@@H](O)CC(=O)C4=CC=C(N)C=C4)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Partricin B (CHEBI:223235) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1R,3R,5R,7S,9S,13R,17S,18R,19Z,21Z,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2S,3R,4R,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[(2R,5R)-7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid