11′-carboxygymnastatin N (CHEBI:204659)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204659 - 11′-carboxygymnastatin N

Take structure to advanced search

ChEBI ID	CHEBI:204659
ChEBI Name	11′-carboxygymnastatin N
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H31NO6
Net Charge	0
Average Mass	417.502
Monoisotopic Mass	417.21514
SMILES	CC(/C=C/C(=O)NC(Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CCCCCC(=O)O
InChI	InChI=1S/C23H31NO6/c1-16(6-4-3-5-7-22(27)28)14-17(2)8-13-21(26)24-20(23(29)30)15-18-9-11-19(25)12-10-18/h8-14,16,20,25H,3-7,15H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/b13-8+,17-14+/t16-,20?/m1/s1
InChIKey	KUYFQMXHLKRNIU-ABQJHCDMSA-N

Species of Metabolite	Component	Source	Comments
Gymnascella dankaliensis (ncbitaxon:166389)	-	PubMed (25600409)

ChEBI Ontology

Outgoing Relation(s)
	11′-carboxygymnastatin N (CHEBI:204659) is a tyrosine derivative (CHEBI:62761)

IUPAC Name
(7R,8E,10E)-12-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-7,9-dimethyl-12-oxododeca-8,10-dienoic acid

Manual Xrefs	Databases
58992468	ChemSpider