Capreomycin IIA (CHEBI:218534)

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CHEBI:218534 - Capreomycin IIA

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ChEBI ID	CHEBI:218534
ChEBI Name	Capreomycin IIA
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H32N12O7
Net Charge	0
Average Mass	540.542
Monoisotopic Mass	540.25169
SMILES	NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC1=O
InChI	InChI=1S/C19H32N12O7/c20-3-9-14(34)28-10(5-26-19(23)38)15(35)31-12(8-1-2-24-18(22)30-8)17(37)25-4-7(21)13(33)29-11(6-32)16(36)27-9/h5,7-9,11-12,32H,1-4,6,20-21H2,(H,25,37)(H,27,36)(H,28,34)(H,29,33)(H,31,35)(H3,22,24,30)(H3,23,26,38)/b10-5-/t7-,8+,9-,11-,12-/m0/s1
InChIKey	XFGCTBYTRMLWCB-MRSVHRRQSA-N

Species of Metabolite	Component	Source	Comments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854)	-	PubMed (61134)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Capreomycin IIA (CHEBI:218534) is a oligopeptide (CHEBI:25676)

IUPAC Name
[(Z)-[(3S,9S,12S,15S)-15-amino-9-(aminomethyl)-3-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-12-(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-6-ylidene]methyl]urea

Manual Xrefs	Databases
2298733	ChemSpider