TAN-1057B (CHEBI:212087)

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CHEBI:212087 - TAN-1057B

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ChEBI ID	CHEBI:212087
ChEBI Name	TAN-1057B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H25N9O3
Net Charge	0
Average Mass	355.403
Monoisotopic Mass	355.20804
SMILES	CN(C(=O)C[C@@H](N)CCCN=C(N)N)[C@@H]1CN=C(NC(N)=O)NC1=O
InChI	InChI=1S/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8+/m0/s1
InChIKey	ZMWBCGMRXBPXEU-JGVFFNPUSA-N

Species of Metabolite	Component	Source	Comments
Flexibacter (ncbitaxon:992)	-	PubMed (8501003)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	TAN-1057B (CHEBI:212087) is a peptide (CHEBI:16670)

IUPAC Name
(3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide

Manual Xrefs	Databases
110872	ChemSpider