FJ120DPB (CHEBI:208775)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208775 - FJ120DPB

Take structure to advanced search

ChEBI ID	CHEBI:208775
ChEBI Name	FJ120DPB
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H52N6O10
Net Charge	0
Average Mass	752.866
Monoisotopic Mass	752.37449
SMILES	CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O
InChI	InChI=1S/C38H52N6O10/c1-21(2)31(42-35(50)32(23(4)45)40-24(5)46)37(52)44-18-10-13-29(44)33(48)41-28(19-26-14-16-27(47)17-15-26)36(51)43(6)30(20-25-11-8-7-9-12-25)34(49)39-22(3)38(53)54/h7-9,11-12,14-17,21-23,28-32,45,47H,10,13,18-20H2,1-6H3,(H,39,49)(H,40,46)(H,41,48)(H,42,50)(H,53,54)/t22-,23+,28-,29-,30-,31+,32-/m0/s1
InChIKey	ACUOSWBPCVKELZ-SDUBJODWSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus ochraceopetaliformis (ncbitaxon:176175)	-	PubMed (31438635)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	FJ120DPB (CHEBI:208775) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-phenylpropanoyl]amino]propanoic acid

Manual Xrefs	Databases
80564761	ChemSpider