EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205912 - Aldgamycin N

ChEBI IDCHEBI:205912
ChEBI NameAldgamycin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O14
Net Charge0
Average Mass716.862
Monoisotopic Mass716.39831
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2/C=C/CCC(=O)[C@@](C)(O)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC
InChIInChI=1S/C36H60O14/c1-19-14-15-27(39)48-22(4)25(18-46-33-31(45-9)30(44-8)28(40)23(5)49-33)12-10-11-13-26(38)35(7,42)16-20(2)29(19)50-34-32(41)36(43,24(6)37)17-21(3)47-34/h10,12,14-15,19-25,28-34,37,40-43H,11,13,16-18H2,1-9H3/b12-10+,15-14+/t19-,20-,21+,22+,23+,24-,25+,28+,29+,30+,31+,32-,33+,34-,35-,36-/m0/s1
InChIKeyFNLXFVTZYOFBPJ-IQATYTEISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HK-2006-1 (ncbitaxon:1470402) - PubMed (27690254)
ChEBI Ontology
Outgoing Relation(s)
Aldgamycin N (CHEBI:205912) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5S,6S,7S,9S,13E,15R,16R)-6-[(2S,3R,4S,6R)-3,4-dihydroxy-4-[(1S)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy-9-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
Manual XrefsDatabases
58197373ChemSpider