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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89995 - PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))
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ChEBI Ontology
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ChEBI Name
PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))
ChEBI ID
CHEBI:89995
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formulae
C52H96NO7P
C52H96NO7P
Net Charge
0
Average Mass
878.297
Monoisotopic Mass
877.69244
InChI
InChI=1S/C52H96NO7P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
22-
24-
26-
28-
30-
32-
34-
36-
38-
40-
42-
44-
47-
57-
49-
51(50-
59-
61(55,56)
58-
48-
46-
53(3,4)
5)
60-
52(54)
45-
43-
41-
39-
37-
35-
33-
31-
29-
27-
25-
23-
21-
19-
17-
15-
13-
11-
9-
7-
2/h14-
17,20-
23,27,29,51H,6-
13,18-
19,24-
26,28,30-
50H2,1-
5H3/b16-
14-
,17-
15-
,22-
20-
,23-
21-
,29-
27-
/t51-
/m1/s1
InChIKey
CEZAZXUWDFPTTE-FHIJIHMSSA-N
SMILES
O(C[C@]
(COP([O-
]
)
(=O)
OCC[N+]
(C)
(C)
C)
(OC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)
=O)
[H]
)
CCCCCCCCCCCC/C=C\C/C=C\CCCCC
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)
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
phosphatidylcholine O-44:5
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) (
CHEBI:89995
)
is a
glycerophosphocholine (
CHEBI:36313
)
PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) (
CHEBI:89995
)
is a
PC(O-22:2/22:3) (
CHEBI:140864
)
IUPAC Name
(2-
{[(2R)-
2-
[(10Z,13Z,16Z)-
docosa-
10,13,16-
trienoyloxy]-
3-
[(13Z,16Z)-
docosa-
13,16-
dien-
1-
yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
Synonyms
Sources
1-Docosadienyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholine
HMDB
GPCho(22:2/22:3)
HMDB
GPCho(22:2n6/22:3n6)
HMDB
GPCho(22:2w6/22:3w6)
HMDB
GPCho(44:5)
HMDB
Lecithin
HMDB
PC ae C44:5
HMDB
PC(22:2/22:3)
HMDB
PC(22:2n6/22:3n6)
HMDB
PC(22:2w6/22:3w6)
HMDB
PC(44:5)
HMDB
PC(O-44:5)
HMDB
Phosphatidylcholine(22:2/22:3)
HMDB
Phosphatidylcholine(22:2n6/22:3n6)
HMDB
Phosphatidylcholine(22:2w6/22:3w6)
HMDB
Phosphatidylcholine(44:5)
HMDB
Manual Xref
Database
HMDB0013456
HMDB
View more database links
Last Modified
29 May 2018