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CHEBI:224982 - Xenolindicin C

ChEBI IDCHEBI:224982
ChEBI NameXenolindicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H75N9O14
Net Charge0
Average Mass930.111
Monoisotopic Mass929.54335
SMILESCCCCCCCCCCCCCCC(=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/C42H75N9O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-34(56)46-28(19-21-32(44)54)38(60)49-30(24-33(45)55)40(62)50-31(25-52)41(63)47-27(17-15-16-23-43)37(59)48-29(20-22-35(57)58)39(61)51-36(26(2)53)42(64)65/h26-31,36,52-53H,3-25,43H2,1-2H3,(H2,44,54)(H2,45,55)(H,46,56)(H,47,63)(H,48,59)(H,49,60)(H,50,62)(H,51,61)(H,57,58)(H,64,65)/t26-,27-,28-,29+,30+,31-,36+/m1/s1
InChIKeyYYNJCHOTTRJFHF-OIFNBCTCSA-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 C (CHEBI:224982) 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-(pentadecanoylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
78440434ChemSpider