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:77686 - 1,2-dioleoyl-3-stearoyl-
sn
-glycerol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1,2-dioleoyl-3-stearoyl-
sn
-glycerol
ChEBI ID
CHEBI:77686
ChEBI ASCII Name
1,2-dioleoyl-3-stearoyl-sn-glycerol
Definition
A triacyl-
sn
-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as stearoyl.
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
more structures >>
Molfile
Formula
C57H106O6
Net Charge
0
Average Mass
887.44790
Monoisotopic Mass
886.79894
InChI
InChI=1S/C57H106O6/c1-
4-
7-
10-
13-
16-
19-
22-
25-
28-
31-
34-
37-
40-
43-
46-
49-
55(58)
61-
52-
54(63-
57(60)
51-
48-
45-
42-
39-
36-
33-
30-
27-
24-
21-
18-
15-
12-
9-
6-
3)
53-
62-
56(59)
50-
47-
44-
41-
38-
35-
32-
29-
26-
23-
20-
17-
14-
11-
8-
5-
2/h25,27-
28,30,54H,4-
24,26,29,31-
53H2,1-
3H3/b28-
25-
,30-
27-
/t54-
/m1/s1
InChIKey
RYNHWWNZNIGDAQ-WNMJAFDRSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
ChEBI Ontology
Outgoing
1,2-dioleoyl-3-stearoyl-
sn
-glycerol (
CHEBI:77686
)
has functional parent
octadecanoic acid (
CHEBI:28842
)
1,2-dioleoyl-3-stearoyl-
sn
-glycerol (
CHEBI:77686
)
has functional parent
oleic acid (
CHEBI:16196
)
1,2-dioleoyl-3-stearoyl-
sn
-glycerol (
CHEBI:77686
)
is a
triacyl-
sn
-glycerol (
CHEBI:64615
)
IUPAC Name
3-(octadecanoyloxy)propane-1,2-diyl (9
Z
,9'
Z
)bis-octadec-9-enoate
Synonyms
Sources
1,2-di-(9
Z
)-octadecenoyl-3-octadecanoyl-
sn
-glycerol
UniProt
3-(stearoyloxy)propane-1,2-diyl (9
Z
,9'
Z
)bis-octadec-9-enoate
IUBMB
Registry Number
Type
Source
2202674
Reaxys Registry Number
Reaxys
Last Modified
09 May 2014