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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89694 - PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Main
ChEBI Ontology
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ChEBI Name
PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
ChEBI ID
CHEBI:89694
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C44H78NO8P
Net Charge
0
Average Mass
780.067
Monoisotopic Mass
779.54651
InChI
InChI=1S/C44H78NO8P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
22-
24-
26-
28-
30-
32-
34-
36-
43(46)
50-
40-
42(41-
52-
54(48,49)
51-
39-
38-
45(3,4)
5)
53-
44(47)
37-
35-
33-
31-
29-
27-
25-
23-
21-
19-
17-
15-
13-
11-
9-
7-
2/h9,11,15-
18,21,23,27,29,42H,6-
8,10,12-
14,19-
20,22,24-
26,28,30-
41H2,1-
5H3/b11-
9-
,17-
15-
,18-
16-
,23-
21-
,29-
27-
/t42-
/m1/s1
InChIKey
QAMLWHXIPWZMCT-WXVJBZSZSA-N
SMILES
C([C@@]
(COC(CCCCCCCCC/C=C\CCCCCC)
=O)
(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)
=O)
[H]
)
OP([O-
]
)
(=O)
OCC[N+]
(C)
(C)
C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
ChEBI Ontology
Outgoing
PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) (
CHEBI:89694
)
is a
1,2-diacyl-
sn
-glycero-3-phosphocholine (
CHEBI:57643
)
Synonyms
Sources
1-Vaccenoyl-2-stearidonoyl-sn-glycero-3-phosphocholine
HMDB
GPCho(18:1/18:4)
HMDB
GPCho(18:1n7/18:4n3)
HMDB
GPCho(18:1w7/18:4w3)
HMDB
GPCho(36:5)
HMDB
Lecithin
HMDB
PC aa C36:5
HMDB
PC(18:1/18:4)
HMDB
PC(18:1n7/18:4n3)
HMDB
PC(18:1w7/18:4w3)
HMDB
PC(36:5)
HMDB
Phosphatidylcholine(18:1/18:4)
HMDB
Phosphatidylcholine(18:1n7/18:4n3)
HMDB
Phosphatidylcholine(18:1w7/18:4w3)
HMDB
Phosphatidylcholine(36:5)
HMDB
trimethyl(2-
{[(2R)-
3-
[(11Z)-
octadec-
11-
enoyloxy]-
2-
[(6Z,9Z,12Z,15Z)-
octadeca-
6,9,12,15-
tetraenoyloxy]propyl phosphonato]oxy}ethyl)azanium
HMDB
Manual Xrefs
Databases
HMDB0008075
HMDB
Lecithin
Wikipedia
PHOSPHATIDYLCHOLINE
MetaCyc
View more database links