Rhizonin A (CHEBI:188316)

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CHEBI:188316 - Rhizonin A

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ChEBI ID	CHEBI:188316
ChEBI Name	Rhizonin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C42H65N7O9
Net Charge	0
Average Mass	812.022
Monoisotopic Mass	811.48438
SMILES	CCC(C)C1NC(=O)C(Cc2ccoc2)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(Cc2ccoc2)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC1=O
InChI	InChI=1S/C42H65N7O9/c1-13-26(8)35-39(53)44-33(24(4)5)38(52)45-34(25(6)7)42(56)49(12)31(19-28-14-16-57-21-28)36(50)43-30(18-23(2)3)41(55)47(10)27(9)40(54)48(11)32(37(51)46-35)20-29-15-17-58-22-29/h14-17,21-27,30-35H,13,18-20H2,1-12H3,(H,43,50)(H,44,53)(H,45,52)(H,46,51)
InChIKey	MHYASXKHPXOUMD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2224)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Rhizonin A (CHEBI:188316) is a oligopeptide (CHEBI:25676)

IUPAC Name
18-butan-2-yl-9,21-bis(uran-3-ylmethyl)-1,3,4,10-tetramethyl-6-(2-methylpropyl)-12,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Manual Xrefs	Databases
143417	ChemSpider
HMDB0030525	HMDB

Registry Numbers	Sources
CAS:85803-92-5	ChemIDplus