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ChEBI
> Main
CHEBI:17010 -
S
-inosyl-
L
-homocysteine
Main
ChEBI Ontology
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ChEBI Name
S
-inosyl-
L
-homocysteine
ChEBI ID
CHEBI:17010
ChEBI ASCII Name
S-inosyl-L-homocysteine
Definition
L
-homocysteine substituted at sulfur by a 5'-deoxyinosin-5'-yl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8961, CHEBI:12747, CHEBI:22053
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Formula
C14H19N5O6S
Net Charge
0
Average Mass
385.39600
Monoisotopic Mass
385.10560
InChI
InChI=1S/C14H19N5O6S/c15-
6(14(23)
24)
1-
2-
26-
3-
7-
9(20)
10(21)
13(25-
7)
19-
5-
18-
8-
11(19)
16-
4-
17-
12(8)
22/h4-
7,9-
10,13,20-
21H,1-
3,15H2,(H,23,24)
(H,16,17,22)
/t6-
,7+,9+,10+,13+/m0/s1
InChIKey
VNPWVMVYUSNFAW-WFMPWKQPSA-N
SMILES
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
S
-inosyl-
L
-homocysteine (
CHEBI:17010
)
is a
homocysteines (
CHEBI:24610
)
S
-inosyl-
L
-homocysteine (
CHEBI:17010
)
is tautomer of
S
-inosyl-
L
-homocysteine zwitterion (
CHEBI:57985
)
Incoming
S
-inosyl-
L
-homocysteine zwitterion (
CHEBI:57985
)
is tautomer of
S
-inosyl-
L
-homocysteine (
CHEBI:17010
)
IUPAC Name
S
-(5'-deoxyinosin-5'-yl)-
L
-homocysteine
Synonym
Source
S-Inosyl-L-homocysteine
KEGG COMPOUND
Manual Xrefs
Databases
C03431
KEGG COMPOUND
SIB
PDBeChem
View more database links
Registry Number
Type
Source
1185800
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014