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CHEBI:223242 - Partricin A

ChEBI IDCHEBI:223242
ChEBI NamePartricin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H86N2O19
Net Charge0
Average Mass1127.332
Monoisotopic Mass1126.58248
SMILESCNc1ccc(C(=O)C[C@H](O)CC[C@@H](C)[C@H]2OC(=O)C[C@H](O)CC(=O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](C[C@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@H]4O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@@H]2C)O3)cc1
InChIInChI=1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(60)54(72)37(3)77-58)32-50-52(57(74)75)49(70)34-59(76,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(61-4)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,61-64,66-68,70,72-73,76H,19,24-34,60H2,1-4H3,(H,74,75)/b6-5-,9-7-,10-8-,13-11-,14-12-,17-15-,18-16-/t35-,36+,37+,40+,41-,42-,44+,45+,46+,47+,49+,50+,52+,53-,54+,55+,56-,58-,59-/m0/s1
InChIKeyPILBMRSRDPAALN-SMOJYODESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6897240)
ChEBI Ontology
Outgoing Relation(s)
Partricin A (CHEBI:223242) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,3R,5R,7R,9S,13R,17R,18S,19Z,21Z,23E,25E,27E,29E,31E,33S,35R,36R,37R)-33-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[(2R,5R)-5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid