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> Main
CHEBI:50388 - tuberculosinyl diphosphate
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ChEBI Name
tuberculosinyl diphosphate
ChEBI ID
CHEBI:50388
Definition
A diterpenyl phosphate that is the
O
-diphospho derivative of tuberculosinol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Secondary ChEBI IDs
CHEBI:63713
Supplier Information
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Formula
C20H36O7P2
Net Charge
0
Average Mass
450.44316
Monoisotopic Mass
450.19363
InChI
InChI=1S/C20H36O7P2/c1-
15(11-
14-
26-
29(24,25)
27-
28(21,22)
23)
10-
13-
20(5)
16(2)
8-
9-
17-
18(20)
7-
6-
12-
19(17,3)
4/h9,11,16,18H,6-
8,10,12-
14H2,1-
5H3,(H,24,25)
(H2,21,22,23)
/b15-
11+/t16-
,18+,20+/m0/s1
InChIKey
BPSHPRCHMGHBGC-AHKHSGQUSA-N
SMILES
[H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
ChEBI Ontology
Outgoing
tuberculosinyl diphosphate (
CHEBI:50388
)
has functional parent
tuberculosinol (
CHEBI:50387
)
tuberculosinyl diphosphate (
CHEBI:50388
)
is a
diterpenyl phosphate (
CHEBI:36772
)
tuberculosinyl diphosphate (
CHEBI:50388
)
is conjugate acid of
tuberculosinyl diphosphate(3−) (
CHEBI:58822
)
Incoming
tuberculosinyl diphosphate(3−) (
CHEBI:58822
)
is conjugate base of
tuberculosinyl diphosphate (
CHEBI:50388
)
IUPAC Name
(2
E
)-
3-
methyl-
5-
[(1
R
,2
S
,8a
S
)-
1,2,5,5-
tetramethyl-
1,2,3,5,6,7,8,8a-
octahydronaphthalen-
1-
yl]pent-
2-
en-
1-
yl trihydrogen diphosphate
Synonyms
Sources
5(6),13-halimadiene-15-yl diphosphate
ChEBI
halima-5(6),13-dien-15-ol diphosphate
ChEBI
halima-5,13-dien-15-yl diphosphate
UniProt
tuberculosinol diphosphate
ChEBI
Citations
Types
Sources
15719101
PubMed citation
SUBMITTER
15719101
PubMed citation
Europe PMC
Last Modified
24 January 2012