EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80765 - Squalamine

ChEBI IDCHEBI:80765
ChEBI NameSqualamine
Stars
DownloadsMolfile
FormulaC34H65N3O5S
Net Charge0
Average Mass627.977
Monoisotopic Mass627.46449
SMILES[H][C@]12C[C@@H](NCCCNCCCCN)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC[C@@H](OS(=O)(=O)O)C(C)C)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1
InChIKeyUIRKNQLZZXALBI-MSVGPLKSSA-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)
Squalamine (CHEBI:80765) is a bile acid (CHEBI:3098)
Manual XrefsDatabases
C00029041KNApSAcK
C16841KEGG COMPOUND
Registry NumbersSources
CAS:148717-90-2KEGG COMPOUND