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CHEBI:221634 - Fabrubactin A

ChEBI IDCHEBI:221634
ChEBI NameFabrubactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H66N9O16S
Net Charge+1
Average Mass1009.126
Monoisotopic Mass1008.43427
SMILESCCCCCCCC(O)CC(O)(C(=O)O)C(=O)NCCC(=O)NCCC(O)(C(=O)O)C(=O)NC(C)c1nc(C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC2Cc3cc(O)c(O)cc3[N+](C)(C)C2)cs1
InChIInChI=1S/C44H65N9O16S/c1-6-7-8-9-10-11-28(54)19-44(69,42(66)67)39(62)46-14-12-33(57)45-15-13-43(68,41(64)65)40(63)50-25(3)38-52-29(23-70-38)37(61)48-20-34(58)49-24(2)36(60)47-21-35(59)51-27-16-26-17-31(55)32(56)18-30(26)53(4,5)22-27/h17-18,23-25,27-28,54,68-69H,6-16,19-22H2,1-5H3,(H10-,45,46,47,48,49,50,51,55,56,57,58,59,60,61,62,63,64,65,66,67)/p+1
InChIKeySXOKUPQNHVTMPJ-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Agrobacterium (ncbitaxon:357) - PubMed (33373180)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fabrubactin A (CHEBI:221634) is a polypeptide (CHEBI:15841)