Sorbistin A1 (CHEBI:223896)

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CHEBI:223896 - Sorbistin A1

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ChEBI ID	CHEBI:223896
ChEBI Name	Sorbistin A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H31N3O9
Net Charge	0
Average Mass	397.425
Monoisotopic Mass	397.20603
SMILES	CCC(=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
WURCS	WURCS=2.0/2,2,1/[h2122h_1N_4N][axx2xh-1d_1-5_4*NCCC/3=O]/1-2/a3-b1
InChI	InChI=1S/C15H31N3O9/c1-2-9(23)18-11-8(5-20)26-15(13(25)12(11)24)27-14(6(21)3-16)10(17)7(22)4-19/h6-8,10-15,19-22,24-25H,2-5,16-17H2,1H3,(H,18,23)/t6-,7+,8?,10+,11+,12?,13?,14+,15+/m0/s1
InChIKey	JFNOZOIQSSNDRN-UQOUMQKUSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (993102)

ChEBI Ontology

Outgoing Relation(s)
	Sorbistin A1 (CHEBI:223896) 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]propanamide

Manual Xrefs	Databases
78445734	ChemSpider