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CHEBI:215304 - Lystabactin A

ChEBI IDCHEBI:215304
ChEBI NameLystabactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H53N9O16
Net Charge0
Average Mass843.845
Monoisotopic Mass843.36103
SMILESNC(=O)C[C@@H](NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](CO)NC(=O)C[C@H](O)[C@@H](N)CCCCNC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CCCN(O)C=O)C(=O)O
InChIInChI=1S/C34H53N9O16/c35-20(7-1-2-11-37-30(52)19-6-3-10-25(47)29(19)51)26(48)15-28(50)38-24(16-44)33(55)39-21(8-4-12-42(58)17-45)31(53)41-23(14-27(36)49)32(54)40-22(34(56)57)9-5-13-43(59)18-46/h3,6,10,17-18,20-24,26,44,47-48,51,58-59H,1-2,4-5,7-9,11-16,35H2,(H2,36,49)(H,37,52)(H,38,50)(H,39,55)(H,40,54)(H,41,53)(H,56,57)/t20-,21-,22-,23+,24+,26-/m0/s1
InChIKeyCBMIIXONCOLGBW-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 A (CHEBI:215304) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(3S,4S)-4-amino-8-[(2,3-dihydroxybenzoyl)amino]-3-hydroxyoctanoyl]amino]-3-hydroxypropanoyl]amino]-5-[ormyl(hydroxy)amino]pentanoyl]amino]-4-oxobutanoyl]amino]-5-[ormyl(hydroxy)amino]pentanoic acid
Manual XrefsDatabases
30770829ChemSpider