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> Main
CHEBI:85136 - (9
E
)-12-(phosphonooxy)octadecenoic acid
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ChEBI Name
(9
E
)-12-(phosphonooxy)octadecenoic acid
ChEBI ID
CHEBI:85136
ChEBI ASCII Name
(9E)-12-(phosphonooxy)octadecenoic acid
Definition
A carboxyalkyl phosphate that is (9
E
)-octadecenoic acid carrying a phosphonooxy substituent at position 12.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Secondary ChEBI IDs
CHEBI:85631
Supplier Information
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Formula
C18H35O6P
Net Charge
0
Average Mass
378.44070
Monoisotopic Mass
378.21713
InChI
InChI=1S/C18H35O6P/c1-
2-
3-
4-
11-
14-
17(24-
25(21,22)
23)
15-
12-
9-
7-
5-
6-
8-
10-
13-
16-
18(19)
20/h9,12,17H,2-
8,10-
11,13-
16H2,1H3,(H,19,20)
(H2,21,22,23)
/b12-
9+
InChIKey
UJCSYVRPPFDKQR-FMIVXFBMSA-N
SMILES
CCCCCCC(C\C=C\CCCCCCCC(O)=O)OP(O)(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(9
E
)-12-(phosphonooxy)octadecenoic acid (
CHEBI:85136
)
has functional parent
elaidic acid (
CHEBI:27997
)
(9
E
)-12-(phosphonooxy)octadecenoic acid (
CHEBI:85136
)
is a
carboxyalkyl phosphate (
CHEBI:36952
)
(9
E
)-12-(phosphonooxy)octadecenoic acid (
CHEBI:85136
)
is conjugate acid of
(9
E
)-12-(phosphonooxy)octadecenoate(3−) (
CHEBI:85137
)
Incoming
(9
E
)-12-(phosphonooxy)octadecenoate(3−) (
CHEBI:85137
)
is conjugate base of
(9
E
)-12-(phosphonooxy)octadecenoic acid (
CHEBI:85136
)
IUPAC Name
(9
E
)-12-(phosphonatooxy)octadec-9-enoic acid
Synonym
Source
12-(phosphonooxy)elaidic acid
SUBMITTER
Citation
Type
Source
12574510
PubMed citation
SUBMITTER
Last Modified
01 May 2015