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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89931 - PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
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ChEBI Ontology
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ChEBI Name
PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
ChEBI ID
CHEBI:89931
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C44H78NO7P
Net Charge
0
Average Mass
764.068
Monoisotopic Mass
763.55159
InChI
InChI=1S/C44H78NO7P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
22-
24-
26-
28-
30-
32-
34-
36-
39-
49-
41-
43(42-
51-
53(47,48)
50-
40-
38-
45(3,4)
5)
52-
44(46)
37-
35-
33-
31-
29-
27-
25-
23-
21-
19-
17-
15-
13-
11-
9-
7-
2/h9,11,15-
18,21,23,27,29,36,39,43H,6-
8,10,12-
14,19-
20,22,24-
26,28,30-
35,37-
38,40-
42H2,1-
5H3/b11-
9-
,17-
15-
,18-
16-
,23-
21-
,29-
27-
,39-
36-
/t43-
/m1/s1
InChIKey
DBMSAJFSJLCYLI-YAYDGDQKSA-N
SMILES
C([C@@]
(CO/C=C\CCCCCCCC/C=C\CCCCCC)
(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(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) (
CHEBI:89931
)
is a
glycerophosphocholine (
CHEBI:36313
)
Synonyms
Sources
1-(1-Enyl-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-
[(1Z,11Z)-
octadeca-
1,11-
dien-
1-
yloxy]-
2-
[(6Z,9Z,12Z,15Z)-
octadeca-
6,9,12,15-
tetraenoyloxy]propyl phosphonato]oxy}ethyl)azanium
HMDB
Manual Xref
Database
HMDB0011280
HMDB
View more database links