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CHEBI:209167 - 3874 H3

ChEBI IDCHEBI:209167
ChEBI Name3874 H3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC57H87NO18
Net Charge0
Average Mass1074.312
Monoisotopic Mass1073.59231
SMILESC/C=C/C=C/C(=O)CC(O)CCC(C)C1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C1C)O2
InChIInChI=1S/C57H87NO18/c1-5-6-17-22-39(59)28-42(62)27-26-37(3)54-36(2)21-18-15-13-11-9-7-8-10-12-14-16-19-25-46(74-56-53(69)51(58)52(68)38(4)73-56)33-48-50(55(70)71)47(66)35-57(72,76-48)34-45(65)31-43(63)29-40(60)23-20-24-41(61)30-44(64)32-49(67)75-54/h5-19,21-22,25,36-38,40-48,50-54,56,60-66,68-69,72H,20,23-24,26-35,58H2,1-4H3,(H,70,71)/b6-5+,8-7-,11-9-,12-10-,15-13-,16-14-,21-18-,22-17+,25-19-/t36?,37?,38-,40?,41?,42?,43?,44?,45?,46?,47?,48?,50?,51+,52-,53+,54?,56?,57?/m1/s1
InChIKeyUYVZDFZITZQRHC-RJCJFMKZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9917005)
ChEBI Ontology
Outgoing Relation(s)
3874 H3 (CHEBI:209167) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(19E,21E,23Z,25Z,27E,29E,31E)-33-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,11,13,37-heptahydroxy-17-[(8E,10E)-5-hydroxy-7-oxododeca-8,10-dien-2-yl]-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Manual XrefsDatabases
78445249ChemSpider