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CHEBI:226472 - Megapolibactin D

ChEBI IDCHEBI:226472
ChEBI NameMegapolibactin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63N11O20
Net Charge0
Average Mass969.957
Monoisotopic Mass969.42508
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](CO)C(=O)N[C@H](CCCN(O)N=O)C(=O)O)[C@@H](C)O)[C@@H](O)C(=O)O
InChIInChI=1S/C36H63N11O20/c1-3-4-5-6-7-10-20(51)15-25(52)37-16-26(53)42-28(29(54)36(62)63)34(59)41-24(18-49)32(57)43-27(19(2)50)33(58)38-21(11-8-13-46(66)44-64)30(55)40-23(17-48)31(56)39-22(35(60)61)12-9-14-47(67)45-65/h19-24,27-29,48-51,54,66-67H,3-18H2,1-2H3,(H,37,52)(H,38,58)(H,39,56)(H,40,55)(H,41,59)(H,42,53)(H,43,57)(H,60,61)(H,62,63)/t19-,20-,21-,22-,23+,24+,27-,28-,29-/m1/s1
InChIKeyLKAAHWJXJKOYFO-PEFXTSJUSA-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 D (CHEBI:226472) is a peptide (CHEBI:16670)