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ChEBI
> Main
CHEBI:80220 - 3-Methyl-1-hydroxybutyl-ThPP
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ChEBI Ontology
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ChEBI Name
3-Methyl-1-hydroxybutyl-ThPP
ChEBI ID
CHEBI:80220
Stars
This entity has been manually annotated by a third party.
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Formula
C17H29N4O8P2S
Net Charge
+1
Average Mass
511.44700
Monoisotopic Mass
511.11759
InChI
InChI=1S/C17H28N4O8P2S/c1-
10(2)
7-
14(22)
17-
21(9-
13-
8-
19-
12(4)
20-
16(13)
18)
11(3)
15(32-
17)
5-
6-
28-
31(26,27)
29-
30(23,24)
25/h8,10,14,22H,5-
7,9H2,1-
4H3,(H4-
,18,19,20,23,24,25,26,27)
/p+1
InChIKey
OZAWOYZVNPQFFO-UHFFFAOYSA-O
SMILES
CC(C)CC(O)c1sc(CCOP(O)(=O)OP(O)(O)=O)c(C)[n+]1Cc1cnc(C)nc1N
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-Methyl-1-hydroxybutyl-ThPP (
CHEBI:80220
)
is a
thiamine phosphate (
CHEBI:26945
)
Synonym
Source
3-Methyl-1-hydroxybutyl-TPP
KEGG COMPOUND
Manual Xrefs
Databases
C15974
KEGG COMPOUND
HMDB0006865
HMDB
View more database links
Last Modified
27 January 2016