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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
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25185752
PubMed citation
Europe PMC
25380190
PubMed citation
Europe PMC
Last Modified
03 April 2015