SB-217452 (CHEBI:200644)

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CHEBI:200644 - SB-217452

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ChEBI ID	CHEBI:200644
ChEBI Name	SB-217452
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H24N6O9S
Net Charge	0
Average Mass	476.468
Monoisotopic Mass	476.13255
SMILES	Cn1c(=NC(N)=O)ccn([C@@H]2S[C@@H]([C@@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)O)[C@H](O)[C@H]2O)c1=O
InChI	InChI=1S/C16H24N6O9S/c1-21-6(19-15(18)30)2-3-22(16(21)31)13-10(26)9(25)11(32-13)8(24)7(14(28)29)20-12(27)5(17)4-23/h2-3,5,7-11,13,23-26H,4,17H2,1H3,(H2,18,30)(H,20,27)(H,28,29)/t5-,7+,8-,9+,10+,11-,13+/m0/s1
InChIKey	NGJDTPRGDCKRHD-ZAUJBZHMSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (11217799)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	SB-217452 (CHEBI:200644) is a peptide (CHEBI:16670)

IUPAC Name
(2R,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-[(2S,3R,4R,5R)-5-(4-carbamoylimino-3-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid

Manual Xrefs	Databases
78440083	ChemSpider