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CHEBI:226465 - Megapolibactin B

ChEBI IDCHEBI:226465
ChEBI NameMegapolibactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67N11O19
Net Charge0
Average Mass982.012
Monoisotopic Mass981.46147
SMILESCCCCCCCCC[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/C38H67N11O19/c1-4-5-6-7-8-9-10-13-23(52)18-27(53)39-19-28(54)44-30(31(55)38(63)64)36(60)43-26(20-50)34(58)45-29(22(3)51)35(59)41-24(14-11-16-48(67)46-65)33(57)40-21(2)32(56)42-25(37(61)62)15-12-17-49(68)47-66/h21-26,29-31,50-52,55,67-68H,4-20H2,1-3H3,(H,39,53)(H,40,57)(H,41,59)(H,42,56)(H,43,60)(H,44,54)(H,45,58)(H,61,62)(H,63,64)/t21-,22+,23+,24+,25+,26-,29+,30+,31+/m0/s1
InChIKeyRGCKNHXAIUCLAC-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 B (CHEBI:226465) is a peptide (CHEBI:16670)