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CHEBI:222402 - Propioxatin B

ChEBI IDCHEBI:222402
ChEBI NamePropioxatin B
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SubmitterMetaboLights
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FormulaC18H31N3O6
Net Charge0
Average Mass385.461
Monoisotopic Mass385.22129
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C18H31N3O6/c1-10(2)8-12(9-14(22)20-27)17(24)21-7-5-6-13(21)16(23)19-15(11(3)4)18(25)26/h10-13,15,27H,5-9H2,1-4H3,(H,19,23)(H,20,22)(H,25,26)/t12-,13-,15-/m1/s1
InChIKeyPYYCBPABFFOXLZ-UMVBOHGHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Propioxatin B (CHEBI:222402) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2R)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
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78443007ChemSpider