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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16615 - biotin amide
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ChEBI Name
biotin amide
ChEBI ID
CHEBI:16615
Definition
A monocarboxylic acid amide derived from biotin.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3109, CHEBI:13906, CHEBI:22883
Supplier Information
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Formula
C10H17N3O2S
Net Charge
0
Average Mass
243.32700
Monoisotopic Mass
243.10415
InChI
InChI=1S/C10H17N3O2S/c11-
8(14)
4-
2-
1-
3-
7-
9-
6(5-
16-
7)
12-
10(15)
13-
9/h6-
7,9H,1-
5H2,(H2,11,14)
(H2,12,13,15)
/t6-
,7-
,9-
/m0/s1
InChIKey
XFLVBMBRLSCJAI-ZKWXMUAHSA-N
SMILES
[H][C@]12CS[C@@H](CCCCC(N)=O)[C@@]1([H])NC(=O)N2
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
biotin amide (
CHEBI:16615
)
has functional parent
biotin (
CHEBI:15956
)
biotin amide (
CHEBI:16615
)
has role
human metabolite (
CHEBI:77746
)
biotin amide (
CHEBI:16615
)
is a
biotins (
CHEBI:51570
)
biotin amide (
CHEBI:16615
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
IUPAC Name
5-
[(3a
S
,4
S
,6a
R
)-
2-
oxohexahydro-
1
H
-
thieno[3,4-
d
]imidazol-
4-
yl]pentanamide
Synonyms
Sources
Biotin amide
KEGG COMPOUND
biotin amide
UniProt
biotinamide
ChemIDplus
Manual Xrefs
Databases
C01893
KEGG COMPOUND
CPD-574
MetaCyc
HMDB0001458
HMDB
View more database links
Registry Numbers
Types
Sources
6929-42-6
CAS Registry Number
ChemIDplus
86836
Beilstein Registry Number
Beilstein
86836
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25185752
PubMed citation
Europe PMC
25380190
PubMed citation
Europe PMC
Last Modified
03 April 2015