Zwittermicin A (CHEBI:199976)

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CHEBI:199976 - Zwittermicin A

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ChEBI ID	CHEBI:199976
ChEBI Name	Zwittermicin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H28N6O8
Net Charge	0
Average Mass	396.401
Monoisotopic Mass	396.19686
SMILES	NC(=O)NCC(NC(=O)[C@@H](O)[C@H](O)[C@H](N)C(O)CC(O)C(N)CO)C(N)=O
InChI	InChI=1S/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)/t4?,5?,6?,7?,8-,9-,10+/m1/s1
InChIKey	FYIPKJHNWFVEIR-WMNLMFOASA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	DOI (10.1016/s0040-4039(00)77154-1)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Zwittermicin A (CHEBI:199976) is a peptide (CHEBI:16670)

IUPAC Name
(2S,3R,4R)-4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide

Manual Xrefs	Databases
19981807	ChemSpider