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:75608 - 2-palmitoyloxypalmityl palmitate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-palmitoyloxypalmityl palmitate
ChEBI ID
CHEBI:75608
Definition
A wax ester resulting from the formal condensation of both the hydroxy groups of hexadecane-1,2-diol with two molecules of palmitic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C48H94O4
Net Charge
0
Average Mass
735.25760
Monoisotopic Mass
734.71521
InChI
InChI=1S/C48H94O4/c1-
4-
7-
10-
13-
16-
19-
22-
25-
28-
31-
34-
37-
40-
43-
47(49)
51-
45-
46(42-
39-
36-
33-
30-
27-
24-
21-
18-
15-
12-
9-
6-
3)
52-
48(50)
44-
41-
38-
35-
32-
29-
26-
23-
20-
17-
14-
11-
8-
5-
2/h46H,4-
45H2,1-
3H3
InChIKey
JBXHTKYUTHLVLY-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing
2-palmitoyloxypalmityl palmitate (
CHEBI:75608
)
has functional parent
1,2-hexadecanediol (
CHEBI:75586
)
2-palmitoyloxypalmityl palmitate (
CHEBI:75608
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
2-palmitoyloxypalmityl palmitate (
CHEBI:75608
)
is a
hexadecanoate ester (
CHEBI:25835
)
2-palmitoyloxypalmityl palmitate (
CHEBI:75608
)
is a
wax ester (
CHEBI:10036
)
IUPAC Name
hexadecane-1,2-diyl dihexadecanoate
Synonyms
Sources
1,2-
O
,
O
-dihexadecanoyl-1,2-hexadecanediol
UniProt
2-hexadecanoyloxyhexadecyl hexadecanoate
SUBMITTER
Registry Number
Type
Source
2317354
Reaxys Registry Number
Reaxys
Last Modified
12 September 2013