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CHEBI:224762 - Actinoramide E

ChEBI IDCHEBI:224762
ChEBI NameActinoramide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44N6O8
Net Charge0
Average Mass616.716
Monoisotopic Mass616.32206
SMILESCOCC(=O)N[C@@H](C(=O)N1N=CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](C)C(=O)N[C@@H]1CCNC1=O)[C@H](O)C(C)C
InChIInChI=1S/C30H44N6O8/c1-17(2)25(38)24(35-23(37)16-44-4)30(43)36-22(11-8-13-32-36)29(42)34-21(15-19-9-6-5-7-10-19)26(39)18(3)27(40)33-20-12-14-31-28(20)41/h5-7,9-10,13,17-18,20-22,24-26,38-39H,8,11-12,14-16H2,1-4H3,(H,31,41)(H,33,40)(H,34,42)(H,35,37)/t18-,20+,21-,22-,24+,25+,26-/m0/s1
InChIKeyAFIGUHJLNOWSNK-DNMAVYRHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 22278 (ncbitaxon:1692108) - PubMed (26465675)
ChEBI Ontology
Outgoing Relation(s)
Actinoramide E (CHEBI:224762) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(3S)-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]-N-[(2S,3S,4S)-3-hydroxy-4-methyl-5-oxo-5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-1-phenylpentan-2-yl]-4,5-dihydro-3H-pyridazine-3-carboxamide
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