CHEBI:80765 - Squalamine

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ChEBI Name Squalamine
ChEBI ID CHEBI:80765
Stars This entity has been manually annotated by a third party.
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Formula C34H65N3O5S
Net Charge 0
Average Mass 627.96200
Monoisotopic Mass 627.46449
InChI InChI=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
InChIKey UIRKNQLZZXALBI-MSVGPLKSSA-N
SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN)OS(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Squalamine (CHEBI:80765) is a bile acid (CHEBI:3098)
Manual Xrefs Databases
C00029041 KNApSAcK
C16841 KEGG COMPOUND
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Registry Number Type Source
148717-90-2 CAS Registry Number KEGG COMPOUND