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CHEBI:226477 - Megapolibactin E

ChEBI IDCHEBI:226477
ChEBI NameMegapolibactin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67N11O20
Net Charge0
Average Mass998.011
Monoisotopic Mass997.45638
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](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/C38H67N11O20/c1-3-4-5-6-7-8-9-12-22(53)17-27(54)39-18-28(55)44-30(31(56)38(64)65)36(61)43-26(20-51)34(59)45-29(21(2)52)35(60)40-23(13-10-15-48(68)46-66)32(57)42-25(19-50)33(58)41-24(37(62)63)14-11-16-49(69)47-67/h21-26,29-31,50-53,56,68-69H,3-20H2,1-2H3,(H,39,54)(H,40,60)(H,41,58)(H,42,57)(H,43,61)(H,44,55)(H,45,59)(H,62,63)(H,64,65)/t21-,22-,23-,24-,25+,26+,29-,30-,31-/m1/s1
InChIKeyWCZJBTAFPATOQP-SOOMBEQHSA-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 E (CHEBI:226477) is a peptide (CHEBI:16670)