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CHEBI:222866 - Lucentamycin E

ChEBI IDCHEBI:222866
ChEBI NameLucentamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43N7O5
Net Charge0
Average Mass593.729
Monoisotopic Mass593.33257
SMILESC/C=C1/CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)C=C(C)C)C(C(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)O)[C@@H]1C
InChIInChI=1S/C31H43N7O5/c1-5-20-17-38(29(41)24(36-26(39)14-18(2)3)12-8-9-13-34-31(32)33)27(19(20)4)28(40)37-25(30(42)43)15-21-16-35-23-11-7-6-10-22(21)23/h5-7,10-11,14,16,19,24-25,27,35H,8-9,12-13,15,17H2,1-4H3,(H,36,39)(H,37,40)(H,42,43)(H4,32,33,34)/b20-5-/t19-,24+,25+,27?/m1/s1
InChIKeyULOBABWTGKXPGF-RGSNETFKSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis lucentensis (ncbitaxon:53441) - DOI (10.1021/np3003854)
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 E (CHEBI:222866) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(3R,4E)-1-[(2S)-6-(diaminomethylideneamino)-2-(3-methylbut-2-enoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid