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CHEBI:226695 - Lucentamycin A

ChEBI IDCHEBI:226695
ChEBI NameLucentamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N6O5
Net Charge0
Average Mass542.681
Monoisotopic Mass542.32167
SMILESC/C=C1/CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)c2ccccc2)C(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H]1C
InChIInChI=1S/C28H42N6O5/c1-5-19-16-34(23(18(19)4)25(36)33-22(27(38)39)15-17(2)3)26(37)21(13-9-10-14-31-28(29)30)32-24(35)20-11-7-6-8-12-20/h5-8,11-12,17-18,21-23H,9-10,13-16H2,1-4H3,(H,32,35)(H,33,36)(H,38,39)(H4,29,30,31)/b19-5-/t18-,21+,22+,23?/m1/s1
InChIKeyBJWAMDSUOTWAAR-ARFAWJGJSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis lucentensis (ncbitaxon:53441) - PubMed (17630797)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lucentamycin A (CHEBI:226695) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(3R,4E)-1-[(2S)-2-benzamido-6-(diaminomethylideneamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid