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CHEBI:221364 - Megapolibactin Bcyc

ChEBI IDCHEBI:221364
ChEBI NameMegapolibactin Bcyc
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H65N11O18
Net Charge0
Average Mass963.997
Monoisotopic Mass963.45090
SMILESCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](C(=O)N[C@H]1COC(=O)[C@@H](CCCN(O)N=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCN(O)N=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O)[C@@H](O)C(=O)O
InChIInChI=1S/C38H65N11O18/c1-4-5-6-7-8-9-10-13-23(51)18-27(52)39-19-28(53)44-30(31(54)37(60)61)36(59)43-26-20-67-38(62)25(15-12-17-49(66)47-64)42-32(55)21(2)40-33(56)24(14-11-16-48(65)46-63)41-35(58)29(22(3)50)45-34(26)57/h21-26,29-31,50-51,54,65-66H,4-20H2,1-3H3,(H,39,52)(H,40,56)(H,41,58)(H,42,55)(H,43,59)(H,44,53)(H,45,57)(H,60,61)/t21-,22+,23+,24+,25+,26-,29+,30+,31+/m0/s1
InChIKeyJIHJWZNIMIENRY-UDJPLWHASA-N
Species of MetaboliteComponentSourceComments
Paraburkholderia megapolitana (ncbitaxon:420953) - PubMed (31276269)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Megapolibactin Bcyc (CHEBI:221364) is a cyclodepsipeptide (CHEBI:35213)