FR235222 (CHEBI:202114)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202114 - FR235222

Take structure to advanced search

ChEBI ID	CHEBI:202114
ChEBI Name	FR235222
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44N4O6
Net Charge	0
Average Mass	556.704
Monoisotopic Mass	556.32609
SMILES	CC[C@@]1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@H]2C[C@H](C)CN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChI	InChI=1S/C30H44N4O6/c1-5-30(4)29(40)32-23(17-21-12-8-6-9-13-21)28(39)34-18-19(2)16-24(34)27(38)31-22(26(37)33-30)14-10-7-11-15-25(36)20(3)35/h6,8-9,12-13,19-20,22-24,35H,5,7,10-11,14-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,20+,22-,23-,24+,30+/m0/s1
InChIKey	NJEYLEUCEPGDMG-QSCRDCPQSA-N

Species of Metabolite	Component	Source	Comments
Acremoniumspecies (ncbitaxon:2046025)	-	DOI (10.7164/antibiotics.56.80)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	FR235222 (CHEBI:202114) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6R,9S,12R,14S)-3-benzyl-6-ethyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,14-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Manual Xrefs	Databases
9906093	ChemSpider