Structure Database (LMSD)

Common Name
Tetrahydro-beta-carotene
Systematic Name
7,8,7',8'-Tetrahydro-β,β-carotene
Synonyms
  • eta-Carotene
LM ID
LMPR01070133
Formula
C40H60
Exact Mass
Calculate m/z
540.4695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Citrus sinensis (#2711)
Magnoliopsida (#3398)
Carotenoids of promising citrus hybrids,
Chem Nat Comp, 1983

String Representations

InChiKey (Click to copy)
WLDANTZNLIHXEE-ZKUOVEGJSA-N
InChi (Click to copy)
InChI=1S/C40H60/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22H,15-16,23-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
C1(=C(C)CCCC1(C)C)CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC1=C(C)CCCC1(C)C

Other Databases

HMDB ID
HMDB0029847
LIPIDBANK ID
VCA1051
PubChem CID
16061254
Carotenoid ID
CA00318

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 652.08
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.05
Molar Refractivity 181.58

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Created at
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Updated at
27th Oct 2023