Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:89101 - PC(20:1(11Z)/18:3(6Z,9Z,12Z))
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
PC(20:1(11Z)/18:3(6Z,9Z,12Z))
ChEBI ID
CHEBI:89101
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C46H84NO8P
Net Charge
0
Average Mass
810.137
Monoisotopic Mass
809.59346
InChI
InChI=1S/C46H84NO8P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
22-
23-
25-
26-
28-
30-
32-
34-
36-
38-
45(48)
52-
42-
44(43-
54-
56(50,51)
53-
41-
40-
47(3,4)
5)
55-
46(49)
39-
37-
35-
33-
31-
29-
27-
24-
21-
19-
17-
15-
13-
11-
9-
7-
2/h15,17,20-
22,24,29,31,44H,6-
14,16,18-
19,23,25-
28,30,32-
43H2,1-
5H3/b17-
15-
,22-
20-
,24-
21-
,31-
29-
/t44-
/m1/s1
InChIKey
FHOBLZOUZRDCHR-VSYNYFESSA-N
SMILES
C([C@@]
(COC(CCCCCCCCC/C=C\CCCCCCCC)
=O)
(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)
=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)
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
ChEBI Ontology
Outgoing
PC(20:1(11Z)/18:3(6Z,9Z,12Z)) (
CHEBI:89101
)
is a
1,2-diacyl-
sn
-glycero-3-phosphocholine (
CHEBI:57643
)
Synonyms
Sources
(2-
{[(2R)-
3-
[(11Z)-
icos-
11-
enoyloxy]-
2-
[(6Z,9Z,12Z)-
octadeca-
6,9,12-
trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
HMDB
1-Eicosenoyl-2-g-linolenoyl-sn-glycero-3-phosphocholine
HMDB
1-Eicosenoyl-2-gamma-linolenoyl-sn-glycero-3-phosphocholine
HMDB
GPCho(20:1/18:3)
HMDB
GPCho(20:1n9/18:3n6)
HMDB
GPCho(20:1w9/18:3w6)
HMDB
GPCho(38:4)
HMDB
Lecithin
HMDB
PC aa C38:4
HMDB
PC(20:1/18:3)
HMDB
PC(20:1n9/18:3n6)
HMDB
PC(20:1w9/18:3w6)
HMDB
PC(38:4)
HMDB
Phosphatidylcholine(20:1/18:3)
HMDB
Phosphatidylcholine(20:1n9/18:3n6)
HMDB
Phosphatidylcholine(20:1w9/18:3w6)
HMDB
Phosphatidylcholine(38:4)
HMDB
Manual Xrefs
Databases
HMDB0008304
HMDB
Lecithin
Wikipedia
PHOSPHATIDYLCHOLINE
MetaCyc
View more database links
Citation
Type
Source
24023812
PubMed citation
Europe PMC