N-[3-[5,17-Bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide (CHEBI:182473)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182473 - N-[3-[5,17-Bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide

Take structure to advanced search

ChEBI ID	CHEBI:182473
ChEBI Name	N-[3-[5,17-Bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H61N9O13
Net Charge	0
Average Mass	863.967
Monoisotopic Mass	863.43888
SMILES	CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(CO)NC1=O
InChI	InChI=1S/C39H61N9O13/c1-23(2)20-31-37(56)44-32(21-27-12-7-6-8-13-27)38(57)42-29(15-10-18-47(60)25(4)51)35(54)40-28(14-9-17-46(59)24(3)50)34(53)41-30(16-11-19-48(61)26(5)52)36(55)45-33(22-49)39(58)43-31/h6-8,12-13,23,28-33,49,59-61H,9-11,14-22H2,1-5H3,(H,40,54)(H,41,53)(H,42,57)(H,43,58)(H,44,56)(H,45,55)
InChIKey	ZWTDABBYXDAIOL-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	N-[3-[5,17-Bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide (CHEBI:182473) is a oligopeptide (CHEBI:25676)

IUPAC Name
N-[3-[5,17-bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide

Manual Xrefs	Databases
22943268	ChemSpider