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CHEBI:198509 - Lystabactin C

ChEBI IDCHEBI:198509
ChEBI NameLystabactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H55N9O16
Net Charge0
Average Mass857.872
Monoisotopic Mass857.37668
SMILESCOC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](CC(N)=O)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
InChIInChI=1S/C35H55N9O16/c1-60-35(57)23(10-6-14-44(59)19-47)41-33(55)24(15-28(37)50)42-32(54)22(9-5-13-43(58)18-46)40-34(56)25(17-45)39-29(51)16-27(49)21(36)8-2-3-12-38-31(53)20-7-4-11-26(48)30(20)52/h4,7,11,18-19,21-25,27,45,48-49,52,58-59H,2-3,5-6,8-10,12-17,36H2,1H3,(H2,37,50)(H,38,53)(H,39,51)(H,40,56)(H,41,55)(H,42,54)/t21-,22-,23-,24+,25+,27-/m0/s1
InChIKeyOLEUWZWFEISRJI-JCNAGRMRSA-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 C (CHEBI:198509) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (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]pentanoate
Manual XrefsDatabases
30770831ChemSpider