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> Main
CHEBI:138198 - 1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphocholine
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ChEBI Name
1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphocholine
ChEBI ID
CHEBI:138198
ChEBI ASCII Name
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
Definition
A phosphatidylcholine 13:0 in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
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Formula
C21H42NO8P
Net Charge
0
Average Mass
467.535
Monoisotopic Mass
467.26480
InChI
InChI=1S/C21H42NO8P/c1-
6-
8-
10-
12-
13-
20(23)
27-
17-
19(30-
21(24)
14-
11-
9-
7-
2)
18-
29-
31(25,26)
28-
16-
15-
22(3,4)
5/h19H,6-
18H2,1-
5H3/t19-
/m1/s1
InChIKey
ILEMXBCROCGAHC-LJQANCHMSA-N
SMILES
P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-]
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
phosphatidylcholine 13:0
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphocholine (
CHEBI:138198
)
has functional parent
heptanoic acid (
CHEBI:45571
)
1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphocholine (
CHEBI:138198
)
has functional parent
hexanoic acid (
CHEBI:30776
)
1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphocholine (
CHEBI:138198
)
is a
phosphatidylcholine 13:0 (
CHEBI:134299
)
IUPAC Name
(2
R
)-3-(heptanoyloxy)-2-(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
1-heptanoyl-2-hexanoyl-
sn
-glycero-3-phosphocholine
UniProt
PC(7:0/6:0)
SUBMITTER
phosphatidylcholine (7:0/6:0)
ChEBI
Citation
Type
Source
22605381
PubMed citation
SUBMITTER
Last Modified
24 October 2017