Structure Database (LMSD)

Common Name
9,9',15-tri-cis-zeta-carotene
Systematic Name
9-cis,9'-cis,15-cis-7,8,7',8'-tetrahydro-psi,psi-carotene
Synonyms
  • (6E,10Z,12E,14E,16Z,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
  • 9,15,9'-tri-cis-zeta-carotene
LM ID
LMPR01070296
Status
Active
Exact Mass
Calculate m/z
540.4695
Formula
C40H60
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
BIWLELKAFXRPDE-LMARSQGMSA-N
InChi (Click to copy)
InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
SMILES (Click to copy)
C(=C(/C)\C=C\C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)/C=C\C=C(/C)\C=C\C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C

References

Other Databases

CHEBI ID
48717
PubChem CID
24755586
Carotenoid ID
CA00053

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 671.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.39
Molar Refractivity 185.76

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Created at
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Updated at
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