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CHEBI:226469 - Megapolibactin C

ChEBI IDCHEBI:226469
ChEBI NameMegapolibactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71N11O19
Net Charge0
Average Mass1010.066
Monoisotopic Mass1009.49277
SMILESCCCCCCCCCCC[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/C40H71N11O19/c1-4-5-6-7-8-9-10-11-12-15-25(54)20-29(55)41-21-30(56)46-32(33(57)40(65)66)38(62)45-28(22-52)36(60)47-31(24(3)53)37(61)43-26(16-13-18-50(69)48-67)35(59)42-23(2)34(58)44-27(39(63)64)17-14-19-51(70)49-68/h23-28,31-33,52-54,57,69-70H,4-22H2,1-3H3,(H,41,55)(H,42,59)(H,43,61)(H,44,58)(H,45,62)(H,46,56)(H,47,60)(H,63,64)(H,65,66)/t23-,24+,25+,26+,27+,28-,31+,32+,33+/m0/s1
InChIKeyKOWVQDYFCAUUBM-CRXOGFNASA-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 C (CHEBI:226469) is a peptide (CHEBI:16670)