exiguamine B (CHEBI:50657)

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CHEBI:50657 - exiguamine B

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ChEBI ID	CHEBI:50657
ChEBI Name	exiguamine B
Stars
Last Modified	18 September 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C25H26N5O7
Net Charge	+1
Average Mass	508.511
Monoisotopic Mass	508.18267
SMILES	CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(c3C3=C2C(=O)c2c(CCN)cnc2C3=O)[C@H](O)C[N+]4(C)C)C1=O
InChI	InChI=1S/C25H25N5O7/c1-28-23(35)25(29(2)24(28)36)18-17(21(34)19-14(20(18)33)10(5-6-26)8-27-19)16-15-11(7-12(31)22(16)37-25)30(3,4)9-13(15)32/h7-8,13,32H,5-6,9,26H2,1-4H3,(H-,27,31,33,34)/p+1/t13-,25-/m1/s1
InChIKey	YOXFPJITBOPKPN-YMXBGEKHSA-O

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	exiguamine B (CHEBI:50657) is a exiguamine (CHEBI:50656)

IUPAC Name
(1'S,4R)-9'-(2-aminoethyl)-1',5'-dihydroxy-1,3,3',3'-tetramethyl-2,5,8',12'-tetraoxo-1',2',3',8',11',12'-hexahydrospiro[imidazolidine-4,7'-pyrano[3,2-e:5,4-f']diindol[3]ium]