Tuberactinomycin O (CHEBI:224097)

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CHEBI:224097 - Tuberactinomycin O

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ChEBI ID	CHEBI:224097
ChEBI Name	Tuberactinomycin O
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H43N13O9
Net Charge	0
Average Mass	669.701
Monoisotopic Mass	669.33067
SMILES	NCCC[C@H](N)CC(=O)N[C@@H]1CNC(=O)[C@@H]([C@@H]2CCN=C(N)N2)NC(=O)/C(=C\NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC1=O
InChI	InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8+/t11-,12-,13+,15-,16+,18+/m0/s1
InChIKey	IJLXXTHFOUHWGE-UYVOBHQYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (4340567)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tuberactinomycin O (CHEBI:224097) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3S)-3,6-diamino-N-[(3R,6E,9S,12R,15R)-3-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide

Manual Xrefs	Databases
78443174	ChemSpider