CHEBI:225828 - Meliponamycin A

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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 Meliponamycin A
ChEBI ID CHEBI:225828
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H61N7O12
Net Charge 0
Average Mass 783.921
Monoisotopic Mass 783.43782
InChI InChI=1S/C36H61N7O12/c1-10-25-23(16-20(2)3)13-14-36(52,55-25)35(7,51)34(50)39-29-30(21(4)5)54-28(46)19-40(8)26(44)17-37-31(47)22(6)41(9)27(45)18-42(53)32(48)24-12-11-15-38-43(24)33(29)49/h20-25,29-30,38,51-53H,10-19H2,1-9H3,(H,37,47)(H,39,50)/t22-,23+,24+,25+,29-,30?,35+,36+/m0/s1
InChIKey ZUADRGNPCRMAFH-CMEYIMQZSA-N
SMILES O=C1N2NCCC[C@@H]2C(=O)N(O)CC(=O)N([C@H](C(=O)NCC(N(CC(OC([C@@H]1NC(=O)[C@@](O)([C@@]3(O[C@@H]([C@@H](CC(C)C)CC3)CC)O)C)C(C)C)=O)C)=O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Meliponamycin A (CHEBI:225828) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-(2-methylpropyl)oxan-2-yl]-2-hydroxy-N-[(3S,13S,19R)-17-hydroxy-8,13,14-trimethyl-2,6,9,12,15,18-hexaoxo-4-propan-2-yl-5-oxa-1,8,11,14,17,23-hexazabicyclo[17.4.0]tricosan-3-yl]propanamide