Structure Database (LMSD)

Common Name
3-Hydroxy-beta-zeacarotene
Systematic Name
(3R)-7',8'-Dihydro-β,psi-caroten-3-ol
Synonyms
  • 3-OH-beta-Zeacarotene
LM ID
LMPR01070117
Formula
C40H58O
Exact Mass
Calculate m/z
554.448766
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
Pubmed ID: 9393712

String Representations

InChiKey (Click to copy)
NDQJOTBVTPZBKX-KVAFJYRMSA-N
InChi (Click to copy)
InChI=1S/C40H58O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14,16-19,21-24,26-28,38,41H,13,15,20,25,29-30H2,1-10H3/b12-11+,21-14+,22-16+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
SMILES (Click to copy)
C/C(=C\CC/C(=C/CC/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/C1=C(C[C@@H](O)CC1(C)C)C)\C)/C)/C)/C

Other Databases

LIPIDBANK ID
VCA1035
PubChem CID
16061250
Carotenoid ID
CA00201

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 667.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.25
Molar Refractivity 185.48

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Created at
-
Updated at
3rd Apr 2025