CHEBI:221149 - Polyoxin J

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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 J
ChEBI ID CHEBI:221149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H25N5O12
Net Charge 0
Average Mass 491.410
Monoisotopic Mass 491.14997
InChI InChI=1S/C17H25N5O12/c1-4-2-22(17(32)21-12(4)27)14-10(26)9(25)11(34-14)7(15(29)30)20-13(28)6(18)8(24)5(23)3-33-16(19)31/h2,5-11,14,23-26H,3,18H2,1H3,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
InChIKey MUIVXLDDXLZVGN-YVKGXWRCSA-N
SMILES O=C1N(C=C(C)C(N1)=O)[C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(=O)N)C(=O)O)[C@H]([C@H]2O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Polyoxin J (CHEBI:221149) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid
Manual Xref Database
9191644 ChemSpider
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