Ustiloxin F (CHEBI:221106)

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CHEBI:221106 - Ustiloxin F

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ChEBI ID	CHEBI:221106
ChEBI Name	Ustiloxin F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H30N4O8
Net Charge	0
Average Mass	466.491
Monoisotopic Mass	466.20636
SMILES	CC[C@@]1(C)Oc2cc(ccc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)NCC(=O)O
InChI	InChI=1S/C21H30N4O8/c1-5-21(3)17(20(32)23-9-14(27)28)25-18(30)10(2)24-19(31)15(22-4)16(29)11-6-7-12(26)13(8-11)33-21/h6-8,10,15-17,22,26,29H,5,9H2,1-4H3,(H,23,32)(H,24,31)(H,25,30)(H,27,28)/t10-,15-,16+,17+,21+/m0/s1
InChIKey	XAJYTGHEDODUTC-KILRJQPKSA-N

Species of Metabolite	Component	Source	Comments
Ustilaginoidea virens (ncbitaxon:1159556)	-	PubMed (9630863)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ustiloxin F (CHEBI:221106) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid

Manual Xrefs	Databases
8542712	ChemSpider