CHEBI:225833 - Meliponamycin B

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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 B
ChEBI ID CHEBI:225833
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H63N7O12
Net Charge 0
Average Mass 797.948
Monoisotopic Mass 797.45347
InChI InChI=1S/C37H63N7O12/c1-10-22(5)17-24-14-15-37(53,56-26(24)11-2)36(7,52)35(51)40-30-31(21(3)4)55-29(47)20-41(8)27(45)18-38-32(48)23(6)42(9)28(46)19-43(54)33(49)25-13-12-16-39-44(25)34(30)50/h21-26,30-31,39,52-54H,10-20H2,1-9H3,(H,38,48)(H,40,51)/t22?,23-,24+,25+,26+,30-,31?,36+,37+/m0/s1
InChIKey HCXVKGDEBMAIPN-VPORHSSRSA-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(CC)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 B (CHEBI:225833) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-(2-methylbutyl)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