Unguisin G (CHEBI:216556)

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CHEBI:216556 - Unguisin G

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ChEBI ID	CHEBI:216556
ChEBI Name	Unguisin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H54N8O8
Net Charge	0
Average Mass	762.909
Monoisotopic Mass	762.40646
SMILES	CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)C(CC(=O)c2ccccc2N)NC(=O)[C@@H](C)NC1=O
InChI	InChI=1S/C39H54N8O8/c1-21(2)32-38(54)43-24(6)34(50)44-29(20-30(48)26-15-10-11-16-27(26)40)36(52)41-18-12-17-31(49)42-23(5)35(51)46-33(22(3)4)39(55)45-28(37(53)47-32)19-25-13-8-7-9-14-25/h7-11,13-16,21-24,28-29,32-33H,12,17-20,40H2,1-6H3,(H,41,52)(H,42,49)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t23-,24-,28+,29?,32-,33-/m1/s1
InChIKey	UWAZAJWYJQHXPD-NTVGNOJHSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/j.tetlet.2020.152322)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Unguisin G (CHEBI:216556) is a peptide (CHEBI:16670)

IUPAC Name
(6R,9R,12S,15R,18R)-3-[2-(2-aminophenyl)-2-oxoethyl]-12-benzyl-6,18-dimethyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone

Manual Xrefs	Databases
101936371	ChemSpider