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CHEBI:221157 - Polyoxin K

ChEBI IDCHEBI:221157
ChEBI NamePolyoxin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N6O13
Net Charge0
Average Mass586.511
Monoisotopic Mass586.18709
SMILESC/C=C1\CN(C(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)[C@@H]1C(=O)O
InChIInChI=1S/C22H30N6O13/c1-2-7-5-28(12(7)20(36)37)18(35)11(26-17(34)10(23)13(31)8(29)6-40-21(24)38)16-14(32)15(33)19(41-16)27-4-3-9(30)25-22(27)39/h2-4,8,10-16,19,29,31-33H,5-6,23H2,1H3,(H2,24,38)(H,26,34)(H,36,37)(H,25,30,39)/b7-2+/t8-,10-,11-,12-,13+,14-,15+,16+,19+/m0/s1
InChIKeyABZGUBNFEGMGPE-MQNVTSSDSA-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 K (CHEBI:221157) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3E)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid