SB-219383 (CHEBI:198432)

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CHEBI:198432 - SB-219383

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ChEBI ID	CHEBI:198432
ChEBI Name	SB-219383
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H23N3O9
Net Charge	0
Average Mass	413.383
Monoisotopic Mass	413.14343
SMILES	N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(=O)O)[C@H]1[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O
InChI	InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10?,11-,12-,13-,15-,17+/m0/s1
InChIKey	JOBDOAKLPNMGKV-DSPXQUDOSA-N

Species of Metabolite	Component	Source	Comments
Micromonospora (ncbitaxon:1873)	-	PubMed (10866216)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	SB-219383 (CHEBI:198432) is a dipeptide (CHEBI:46761)

IUPAC Name
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl]acetic acid

Manual Xrefs	Databases
8891994	ChemSpider