CHEBI:221143 - Polyoxin I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Polyoxin I
ChEBI ID CHEBI:221143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22N4O9
Net Charge 0
Average Mass 426.382
Monoisotopic Mass 426.13868
InChI InChI=1S/C17H22N4O9/c1-2-6-3-20(9(6)16(27)28)14(26)8(18)12-10(23)11(24)15(30-12)21-4-7(5-22)13(25)19-17(21)29/h2,4,8-12,15,22-24H,3,5,18H2,1H3,(H,27,28)(H,19,25,29)/b6-2+/t8-,9-,10-,11+,12+,15+/m0/s1
InChIKey PYKBUMNCUPHKDK-UJTCPRONSA-N
SMILES O=C1N(C=C(CO)C(N1)=O)[C@@H]2O[C@H]([C@H](N)C(=O)N3[C@@H](/C(=C/C)/C3)C(=O)O)[C@H]([C@H]2O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Polyoxin I (CHEBI:221143) is a 5'-deoxyribonucleoside (CHEBI:36988)
IUPAC Name
(2S,3E)-1-[(2S)-2-amino-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid