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> Main
CHEBI:134117 - presqualene monophosphate
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ChEBI Name
presqualene monophosphate
ChEBI ID
CHEBI:134117
Definition
A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a monophosphate group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Steve Jupe
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Formula
C30H51O4P
Net Charge
0
Average Mass
506.698
Monoisotopic Mass
506.35250
InChI
InChI=1S/C30H51O4P/c1-
23(2)
13-
9-
15-
25(5)
17-
11-
18-
27(7)
21-
28-
29(22-
34-
35(31,32)
33)
30(28,8)
20-
12-
19-
26(6)
16-
10-
14-
24(3)
4/h13-
14,17,19,21,28-
29H,9-
12,15-
16,18,20,22H2,1-
8H3,(H2,31,32,33)
/b25-
17+,26-
19+,27-
21+/t28-
,29-
,30-
/m0/s1
InChIKey
GPKFJNOMPPCLGX-VYCBRMPGSA-N
SMILES
[C@@H]1([C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@@]1(CC/C=C(/CCC=C(C)C)\C)C)COP(O)(O)=O
ChEBI Ontology
Outgoing
presqualene monophosphate (
CHEBI:134117
)
has functional parent
presqualene alcohol (
CHEBI:176962
)
presqualene monophosphate (
CHEBI:134117
)
is a
triterpenoid (
CHEBI:36615
)
presqualene monophosphate (
CHEBI:134117
)
is a
triterpenyl phosphate (
CHEBI:36780
)
presqualene monophosphate (
CHEBI:134117
)
is conjugate acid of
presqualene monophosphate(2−) (
CHEBI:176803
)
Incoming
presqualene monophosphate(2−) (
CHEBI:176803
)
is conjugate base of
presqualene monophosphate (
CHEBI:134117
)
IUPAC Name
{(1
S
,2
S
,3
S
)-
2-
[(3
E
)-
4,8-
dimethylnona-
3,7-
dien-
1-
yl]-
2-
methyl-
3-
[(2
E
,6
E
)-
2,6,10-
trimethylundeca-
1,5,9-
trien-
1-
yl]cyclopropan-
1-
yl}methyl dihydrogen phosphate
Citations
Types
Sources
16464866
PubMed citation
SUBMITTER
16990613
PubMed citation
Europe PMC
23568778
PubMed citation
Europe PMC
9353124
PubMed citation
SUBMITTER
Last Modified
30 July 2021