Topostin B-553 (CHEBI:200188)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200188 - Topostin B-553

Take structure to advanced search

ChEBI ID	CHEBI:200188
ChEBI Name	Topostin B-553
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H63NO5
Net Charge	0
Average Mass	553.869
Monoisotopic Mass	553.47062
SMILES	CCCCCCCCCCCCC[C@H](CC(=O)NCC(=O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI	InChI=1S/C33H63NO5/c1-4-5-6-7-8-9-10-13-16-19-22-25-30(27-31(35)34-28-32(36)37)39-33(38)26-23-20-17-14-11-12-15-18-21-24-29(2)3/h29-30H,4-28H2,1-3H3,(H,34,35)(H,36,37)/t30-/m1/s1
InChIKey	HGZNYJPHHPDUFK-SSEXGKCCSA-N

Species of Metabolite	Component	Source	Comments
Aeromonas (ncbitaxon:642)	-	DOI (10.1016/s0040-4020(98)83004-4)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Topostin B-553 (CHEBI:200188) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
2-[[(3R)-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetic acid

Manual Xrefs	Databases
8523076	ChemSpider