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CHEBI:210904 - Xenolindicin B

ChEBI IDCHEBI:210904
ChEBI NameXenolindicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71N9O14
Net Charge0
Average Mass902.057
Monoisotopic Mass901.51205
SMILESCCCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C40H71N9O14/c1-3-4-5-6-7-8-9-10-11-12-16-32(54)44-26(17-19-30(42)52)36(58)47-28(22-31(43)53)38(60)48-29(23-50)39(61)45-25(15-13-14-21-41)35(57)46-27(18-20-33(55)56)37(59)49-34(24(2)51)40(62)63/h24-29,34,50-51H,3-23,41H2,1-2H3,(H2,42,52)(H2,43,53)(H,44,54)(H,45,61)(H,46,57)(H,47,58)(H,48,60)(H,49,59)(H,55,56)(H,62,63)/t24-,25-,26-,27+,28+,29-,34+/m1/s1
InChIKeyBBCODNXVGFEGDD-FGZNZHIWSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdusspecies (ncbitaxon:51785) - PubMed (24816640)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenolindicin B (CHEBI:210904) is a peptide (CHEBI:16670)
IUPAC Name 
(4S)-4-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2R)-5-amino-5-oxo-2-(tridecanoylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
78440469ChemSpider