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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80765 - Squalamine
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ChEBI Ontology
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ChEBI Name
Squalamine
ChEBI ID
CHEBI:80765
Stars
This entity has been manually annotated by a third party.
Supplier Information
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Squalamine (
CHEBI:80765
)
is a
bile acid (
CHEBI:3098
)
Manual Xrefs
Databases
C00029041
KNApSAcK
C16841
KEGG COMPOUND
View more database links
Registry Number
Type
Source
148717-90-2
CAS Registry Number
KEGG COMPOUND