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CHEBI:221123 - Polyoxin E

ChEBI IDCHEBI:221123
ChEBI NamePolyoxin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N5O13
Net Charge0
Average Mass505.393
Monoisotopic Mass505.12924
SMILESNC(=O)OCC(O)CC(N)C(=O)NC(C(=O)O)[C@H]1O[C@@H](n2cc(C(=O)O)c(=O)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H23N5O13/c18-6(1-4(23)3-34-16(19)32)12(27)20-7(15(30)31)10-8(24)9(25)13(35-10)22-2-5(14(28)29)11(26)21-17(22)33/h2,4,6-10,13,23-25H,1,3,18H2,(H2,19,32)(H,20,27)(H,28,29)(H,30,31)(H,21,26,33)/t4?,6?,7?,8-,9+,10+,13+/m0/s1
InChIKeyPSMMGZFBBZWLFJ-HQLOUJRVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5358618)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Polyoxin E (CHEBI:221123) is a dipeptide (CHEBI:46761)
IUPAC Name 
1-[(2R,3R,4S,5R)-5-[[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
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2341452ChemSpider