CHEBI:189929 - Maduramicin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Maduramicin
ChEBI ID CHEBI:189929
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H80O17.H3N
Net Charge 0
Average Mass 934.171
Monoisotopic Mass 933.56610
InChI InChI=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
InChIKey WQGJEAMPBSZCIF-HKSLRPGUSA-N
SMILES O1[C@]([C@@]2(O[C@]([C@@]3(O[C@](C[C@@H]3O[C@H]4O[C@H]([C@H](OC)[C@@H](OC)C4)C)([C@]5(O[C@](O)([C@@H](C[C@@H]5C)C)C)[H])[H])[H])(CC2)C)[H])(CC[C@@]16O[C@@]([C@@H]([C@@H](O)C6)C)([C@H]([C@@]7(O[C@@](O)([C@H]([C@H](OC)[C@H]7OC)C)CC(O)=O)[H])C)[H])C.N
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
61862 ChemSpider
D04830 KEGG DRUG
DB11525 KEGG DRUG
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Registry Number Type Source
84878-61-5 CAS Registry Number ChemIDplus