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CHEBI:223891 - Sorbistin A2

ChEBI IDCHEBI:223891
ChEBI NameSorbistin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H33N3O9
Net Charge0
Average Mass411.452
Monoisotopic Mass411.22168
SMILESCCCC(=O)N[C@@H]1C(CO)O[C@H](O[C@@H]([C@H](N)[C@H](O)CO)[C@@H](O)CN)C(O)C1O
WURCSWURCS=2.0/2,2,1/[h2122h_1*N_4*N][axx2xh-1d_1-5_4*NCCCC/3=O]/1-2/a3-b1
InChIInChI=1S/C16H33N3O9/c1-2-3-10(24)19-12-9(6-21)27-16(14(26)13(12)25)28-15(7(22)4-17)11(18)8(23)5-20/h7-9,11-16,20-23,25-26H,2-6,17-18H2,1H3,(H,19,24)/t7-,8+,9?,11+,12+,13?,14?,15+,16+/m0/s1
InChIKeyMYZPFWFUSVUBQI-LPDJLMOUSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (993102)
ChEBI Ontology
Outgoing Relation(s)
Sorbistin A2 (CHEBI:223891) is a hexose (CHEBI:18133)
IUPAC Name 
N-[(3S,6R)-6-[(2S,3S,4R,5S)-1,4-diamino-2,5,6-trihydroxyhexan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]butanamide
Manual XrefsDatabases
78445733ChemSpider