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CHEBI:217983 - Lystabactin B

ChEBI IDCHEBI:217983
ChEBI NameLystabactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H51N9O15
Net Charge0
Average Mass825.830
Monoisotopic Mass825.35046
SMILESNC(=O)C[C@H]1NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](NC(=O)C[C@H](O)[C@@H](N)CCCCNC(=O)c2cccc(O)c2O)COC(=O)[C@H](CCCN(O)C=O)NC1=O
InChIInChI=1S/C34H51N9O15/c35-20(7-1-2-11-37-30(51)19-6-3-10-25(46)29(19)50)26(47)15-28(49)38-24-16-58-34(55)22(9-5-13-43(57)18-45)40-32(53)23(14-27(36)48)41-31(52)21(39-33(24)54)8-4-12-42(56)17-44/h3,6,10,17-18,20-24,26,46-47,50,56-57H,1-2,4-5,7-9,11-16,35H2,(H2,36,48)(H,37,51)(H,38,49)(H,39,54)(H,40,53)(H,41,52)/t20-,21-,22-,23+,24+,26-/m0/s1
InChIKeyFFAYQCOAOXEBPN-CXBWMIOTSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies S2B (ncbitaxon:1286359) - PubMed (23444833)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lystabactin B (CHEBI:217983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(5S,6S)-5-amino-8-[[(3S,6R,9S,12R)-6-(2-amino-2-oxoethyl)-3,9-bis[3-[ormyl(hydroxy)amino]propyl]-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-6-hydroxy-8-oxooctyl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
30770830ChemSpider