Streptomethiocin B (CHEBI:215268)

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CHEBI:215268 - Streptomethiocin B

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ChEBI ID	CHEBI:215268
ChEBI Name	Streptomethiocin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H22N4O8S2
Net Charge	0
Average Mass	510.550
Monoisotopic Mass	510.08791
SMILES	C[C@@](CSSC[C@](C)(NC(=O)c1ncccc1O)C(=O)O)(NC(=O)c1ncccc1O)C(=O)O
InChI	InChI=1S/C20H22N4O8S2/c1-19(17(29)30,23-15(27)13-11(25)5-3-7-21-13)9-33-34-10-20(2,18(31)32)24-16(28)14-12(26)6-4-8-22-14/h3-8,25-26H,9-10H2,1-2H3,(H,23,27)(H,24,28)(H,29,30)(H,31,32)/t19-,20-/m0/s1
InChIKey	ZCTPMLZHDHDIAO-PMACEKPBSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31986449)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Streptomethiocin B (CHEBI:215268) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2R)-3-[[(2R)-2-carboxy-2-[(3-hydroxypyridine-2-carbonyl)amino]propyl]disulanyl]-2-[(3-hydroxypyridine-2-carbonyl)amino]-2-methylpropanoic acid