EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198319 - Aldgamycin I

ChEBI IDCHEBI:198319
ChEBI NameAldgamycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O15
Net Charge0
Average Mass730.845
Monoisotopic Mass730.37757
SMILESCOC1C(OC[C@H]2[C@@H]3O[C@@H]3/C=C\C(=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)OC(C)C(O)C1OC
InChIInChI=1S/C36H58O15/c1-17-10-13-26(39)48-20(4)23(16-46-33-31(45-9)30(44-8)27(40)21(5)49-33)29-24(50-29)11-12-25(38)35(7,42)14-18(2)28(17)51-34-32(41)36(43,22(6)37)15-19(3)47-34/h10-13,17-24,27-34,37,40-43H,14-16H2,1-9H3/b12-11-,13-10-/t17-,18-,19+,20+,21?,22-,23+,24+,27?,28+,29-,30?,31?,32-,33?,34-,35-,36-/m0/s1
InChIKeyVMIBTKDJTYPYKU-QZBWBHKWSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies KMA-001 (ncbitaxon:872245) - PubMed (19218982)
ChEBI Ontology
Outgoing Relation(s)
Aldgamycin I (CHEBI:198319) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,3R,6Z,8S,9S,10S,12S,14Z,16R)-9-[(2S,3R,4S,6R)-3,4-dihydroxy-4-[(1S)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy-12-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
Manual XrefsDatabases
78445378ChemSpider