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CHEBI:221639 - Fabrubactin B

ChEBI IDCHEBI:221639
ChEBI NameFabrubactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H66N9O16S
Net Charge+1
Average Mass1009.126
Monoisotopic Mass1008.43427
SMILESCCCCCCCC(O)CC(O)(C(=O)O)C(=O)NC(C)C(=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/c1-7-8-9-10-11-12-28(54)18-44(69,42(66)67)40(63)49-24(3)35(59)45-14-13-43(68,41(64)65)39(62)50-25(4)38-52-29(22-70-38)37(61)47-19-33(57)48-23(2)36(60)46-20-34(58)51-27-15-26-16-31(55)32(56)17-30(26)53(5,6)21-27/h16-17,22-25,27-28,54,68-69H,7-15,18-21H2,1-6H3,(H10-,45,46,47,48,49,50,51,55,56,57,58,59,60,61,62,63,64,65,66,67)/p+1
InChIKeyOZJJAQYSQJUODF-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 B (CHEBI:221639) is a polypeptide (CHEBI:15841)