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CHEBI:189929 - Maduramicin

ChEBI IDCHEBI:189929
ChEBI NameMaduramicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O17.H3N
Net Charge0
Average Mass934.171
Monoisotopic Mass933.56610
SMILESN.[H][C@@]1([C@H](C)[C@@]2([H])O[C@@]3(CC[C@@](C)([C@@]4([H])CC[C@@](C)([C@]5([H])O[C@@]([H])([C@@]6([H])O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5O[C@@H]5C[C@H](OC)[C@@H](OC)[C@H](C)O5)O4)O3)C[C@H](O)[C@H]2C)O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]1OC
InChIInChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1
InChIKeyWQGJEAMPBSZCIF-HKSLRPGUSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Maduramicin (CHEBI:189929) is a glycoside (CHEBI:24400)
IUPAC Name 
azane;2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
Manual XrefsDatabases
61862ChemSpider
DB11525DrugBank
D04830KEGG DRUG
Registry NumbersSources
CAS:84878-61-5ChemIDplus