CHEBI:80701 - Spergualin

ChEBI IDCHEBI:80701
ChEBI NameSpergualin
Stars
DownloadsMolfile
FormulaC17H37N7O4
Net Charge0
Average Mass403.528
Monoisotopic Mass403.29070
SMILESN=C(N)NCCCC[C@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCCN
InChIInChI=1S/C17H37N7O4/c18-7-5-9-21-8-3-4-10-22-15(27)16(28)24-14(26)12-13(25)6-1-2-11-23-17(19)20/h13,16,21,25,28H,1-12,18H2,(H,22,27)(H,24,26)(H4,19,20,23)/t13-,16-/m0/s1
InChIKeyGDVNLLJNADMLLR-BBRMVZONSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spergualin (CHEBI:80701) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
C00018395KNApSAcK
C16747KEGG COMPOUND
Registry NumbersSources
CAS:80902-43-8KEGG COMPOUND