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CHEBI:203772 - Cryptophycin E

ChEBI IDCHEBI:203772
ChEBI NameCryptophycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H47ClN2O9
Net Charge0
Average Mass687.230
Monoisotopic Mass686.29701
SMILESCOC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccc(OC)c(Cl)c1)NC(=O)/C=C/C[C@H](OC(=O)[C@@H](O)CC(C)C)[C@H](C)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C36H47ClN2O9/c1-21(2)17-28(40)36(44)47-29(23(4)32-33(48-32)25-11-8-7-9-12-25)13-10-14-31(41)39-27(34(42)38-20-22(3)35(43)46-6)19-24-15-16-30(45-5)26(37)18-24/h7-12,14-16,18,21-23,27-29,32-33,40H,13,17,19-20H2,1-6H3,(H,38,42)(H,39,41)/b14-10+/t22-,23+,27+,28+,29+,32-,33-/m1/s1
InChIKeyXGAUXAIUGBBANH-FFGCSCSXSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - DOI (10.1021/ja00090a020)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cryptophycin E (CHEBI:203772) is a peptide (CHEBI:16670)
IUPAC Name 
[(E,2S,3S)-7-[[(2S)-3-(3-chloro-4-methoxyphenyl)-1-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-7-oxo-2-[(2R,3R)-3-phenyloxiran-2-yl]hept-5-en-3-yl] (2S)-2-hydroxy-4-methylpentanoate
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