Cabanillasin (CHEBI:198039)

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CHEBI:198039 - Cabanillasin

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ChEBI ID	CHEBI:198039
ChEBI Name	Cabanillasin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H49N13O
Net Charge	0
Average Mass	511.724
Monoisotopic Mass	511.41830
SMILES	CC(=O)NC(N)=NCCCCN=C(N)NCCCCN=C(N)NCCCCNC(N)=NCCCCN
InChI	InChI=1S/C22H49N13O/c1-18(36)35-22(27)34-17-9-8-16-33-21(26)32-15-7-6-14-31-20(25)30-13-5-4-12-29-19(24)28-11-3-2-10-23/h2-17,23H2,1H3,(H3,24,28,29)(H3,25,30,31)(H3,26,32,33)(H3,27,34,35,36)
InChIKey	XGUDPXVVHRTYBT-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus cabanillasii JM26 (ncbitaxon:1427517)	-	PubMed (23756685)

ChEBI Ontology

Outgoing Relation(s)
	Cabanillasin (CHEBI:198039) is a acetamides (CHEBI:22160)

IUPAC Name
N-[N'-[4-[[amino-[4-[[amino-[4-[[N'-(4-aminobutyl)carbamimidoyl]amino]butylamino]methylidene]amino]butylamino]methylidene]amino]butyl]carbamimidoyl]acetamide

Manual Xrefs	Databases
78434609	ChemSpider