Structure Database (LMSD)

Common Name
all-trans-retinyl Palmitate
Systematic Name
Synonyms
  • (2E,4E,6E,8E)-Hexadecanoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2, 4,6,8,tetraenyl ester
LM ID
LMPR01090013
Status
Active
Exact Mass
Calculate m/z
524.45933
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
VYGQUTWHTHXGQB-FFHKNEKCSA-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)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/COC(CCCCCCCCCCCCCCC)=O)/C)/C)=C(C)CC1

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
SwissLipids ID
Cayman ID

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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Created at
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Updated at
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