Sinefungin VA (CHEBI:221344)

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CHEBI:221344 - Sinefungin VA

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ChEBI ID	CHEBI:221344
ChEBI Name	Sinefungin VA
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H37N9O7
Net Charge	0
Average Mass	551.605
Monoisotopic Mass	551.28159
SMILES	CC(C)[C@H](NC(=O)[C@@H](N)CC[C@H](N)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(=O)O
InChI	InChI=1S/C23H37N9O7/c1-9(2)14(21(36)30-10(3)23(37)38)31-20(35)12(25)5-4-11(24)6-13-16(33)17(34)22(39-13)32-8-29-15-18(26)27-7-28-19(15)32/h7-14,16-17,22,33-34H,4-6,24-25H2,1-3H3,(H,30,36)(H,31,35)(H,37,38)(H2,26,27,28)/t10-,11-,12-,13+,14-,16+,17+,22+/m0/s1
InChIKey	DOCMEZCWRQEKOV-TUUIAVOASA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (20859291)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sinefungin VA (CHEBI:221344) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoyl]amino]-3-methylbutanoyl]amino]propanoic acid

Manual Xrefs	Databases
78437679	ChemSpider