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CHEBI:217221 - Xenolindicin A

ChEBI IDCHEBI:217221
ChEBI NameXenolindicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H73N9O14
Net Charge0
Average Mass916.084
Monoisotopic Mass915.52770
SMILESCCCCCCCCCCCCCC(=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/C41H73N9O14/c1-3-4-5-6-7-8-9-10-11-12-13-17-33(55)45-27(18-20-31(43)53)37(59)48-29(23-32(44)54)39(61)49-30(24-51)40(62)46-26(16-14-15-22-42)36(58)47-28(19-21-34(56)57)38(60)50-35(25(2)52)41(63)64/h25-30,35,51-52H,3-24,42H2,1-2H3,(H2,43,53)(H2,44,54)(H,45,55)(H,46,62)(H,47,58)(H,48,59)(H,49,61)(H,50,60)(H,56,57)(H,63,64)/t25-,26-,27-,28+,29+,30-,35+/m1/s1
InChIKeyHSRLMPGKYRPQOD-VHJPVKFDSA-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 A (CHEBI:217221) 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-(tetradecanoylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
78440270ChemSpider