Spumigin J (CHEBI:220970)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220970 - Spumigin J

Take structure to advanced search

ChEBI ID	CHEBI:220970
ChEBI Name	Spumigin J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H44N4O8
Net Charge	0
Average Mass	612.724
Monoisotopic Mass	612.31591
SMILES	C[C@H]1C[C@@H](C(=O)N(C)[C@H](CCCCN)C(=O)O)N(C(=O)[C@@H](CCc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(O)cc2)C1
InChI	InChI=1S/C32H44N4O8/c1-20-17-27(31(42)35(2)26(32(43)44)5-3-4-16-33)36(19-20)30(41)25(15-10-21-6-11-23(37)12-7-21)34-29(40)28(39)18-22-8-13-24(38)14-9-22/h6-9,11-14,20,25-28,37-39H,3-5,10,15-19,33H2,1-2H3,(H,34,40)(H,43,44)/t20-,25+,26+,27-,28+/m0/s1
InChIKey	GYOYQEPTCVDBLP-FTNGLENOSA-N

Species of Metabolite	Component	Source	Comments
Anabaena (ncbitaxon:1163)	-	PubMed (22950366)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Spumigin J (CHEBI:220970) is a peptide (CHEBI:16670)

IUPAC Name
(2R)-6-amino-2-[[(2S,4S)-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carbonyl]-methylamino]hexanoic acid

Manual Xrefs	Databases
28533837	ChemSpider