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CHEBI:226461 - Megapolibactin A

ChEBI IDCHEBI:226461
ChEBI NameMegapolibactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63N11O19
Net Charge0
Average Mass953.958
Monoisotopic Mass953.43017
SMILESCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N[C@H](CCCN(O)N=O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCN(O)N=O)C(=O)O)[C@@H](C)O)[C@@H](O)C(=O)O
InChIInChI=1S/C36H63N11O19/c1-4-5-6-7-8-11-21(50)16-25(51)37-17-26(52)42-28(29(53)36(61)62)34(58)41-24(18-48)32(56)43-27(20(3)49)33(57)39-22(12-9-14-46(65)44-63)31(55)38-19(2)30(54)40-23(35(59)60)13-10-15-47(66)45-64/h19-24,27-29,48-50,53,65-66H,4-18H2,1-3H3,(H,37,51)(H,38,55)(H,39,57)(H,40,54)(H,41,58)(H,42,52)(H,43,56)(H,59,60)(H,61,62)/t19-,20+,21+,22+,23+,24-,27+,28+,29+/m0/s1
InChIKeyIJKDECQEZBZGBZ-HRUAGVTDSA-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 A (CHEBI:226461) is a peptide (CHEBI:16670)