Fellutamide B (CHEBI:212642)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212642 - Fellutamide B

Take structure to advanced search

ChEBI ID	CHEBI:212642
ChEBI Name	Fellutamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H49N5O7
Net Charge	0
Average Mass	555.717
Monoisotopic Mass	555.36320
SMILES	CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C=O)CC(C)C
InChI	InChI=1S/C27H49N5O7/c1-4-5-6-7-8-9-10-11-20(34)15-25(37)31-22(16-24(29)36)27(39)32-21(12-13-23(28)35)26(38)30-19(17-33)14-18(2)3/h17-22,34H,4-16H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,38)(H,31,37)(H,32,39)/t19-,20+,21-,22-/m0/s1
InChIKey	MFXAGCQVWGPEJH-LRSLUSHPSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1016/s0040-4020(01)82396-6)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fellutamide B (CHEBI:212642) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanediamide

Manual Xrefs	Databases
8004880	ChemSpider