Structure Database (LMSD)

Common Name
alpha-Zeacarotene
Systematic Name
(6R)-7',8'-Dihydro-ε,psi-carotene
Synonyms
  • 7',8'-Dihydro-delta-carotene
LM ID
LMPR01070199
Formula
C40H58
Exact Mass
Calculate m/z
538.45385
Status
Curated
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
Ipomoea batatas (#4120)
Magnoliopsida (#3398)
Carotenoids and pro-vitamin A value of white fleshed Brazilian sweet potatoes (Ipomoea batatas Lam.),
J Food Comp Anal, 1988

String Representations

InChiKey (Click to copy)
IGABZIVJSNQMPZ-DWQNOKSTSA-N
InChi (Click to copy)
InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)C(C)=CCCC1(C)C

Other Databases

LIPIDBANK ID
VCA1117
PubChem CID
6441660
Carotenoid ID
CA00299

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 659.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.85
Molar Refractivity 183.51

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Created at
-
Updated at
27th Oct 2023