Structure Database (LMSD)

Common Name
11-cis-retinyl palmitate
Systematic Name
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2E,4Z,6E,8E-tetraen-1-yl hexadecanoate
Synonyms
  • 11-cis-Retinyl palmitate
  • 11-cis-retinyl palmitate
LM ID
LMPR01090052
Formula
C36H60O2
Exact Mass
Calculate m/z
524.45933
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Retinoids [PR0109]

String Representations

InChiKey (Click to copy)
VYGQUTWHTHXGQB-SXFSSFKVSA-N
InChi (Click to copy)
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28+
SMILES (Click to copy)
C1(C(C)(C)CCCC=1C)/C=C/C(/C)=C/C=C\C(\C)=C\COC(=O)CCCCCCCCCCCCCCC

Other Databases

KEGG ID
C03455
HMDB ID
HMDB0060338
CHEBI ID
16254
PubChem CID
5459829

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 1
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 620.74
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.83
Molar Refractivity 167.89

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Updated at
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