Squalene
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Molecular Identity
Squalene
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
PubChem CID: 638072
Squalene is a triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite and a human metabolite.
2D Structure
Properties
C30H50
Molecular Formula
410.70
Molecular Weight
g/mol
410.3913
Exact Mass
Da
11.6
XLogP
Above Lipinski threshold
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
578
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)CIsomeric SMILES
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)CSynonyms(20)
squalene111-02-4Spinacenetrans-SqualeneAll-trans-Squalene(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaeneSpinacenNikko Squalane EXSuper SqualeneSqualen(All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene7QWM220FJHCHEBI:154402,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Squalene
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