Structure Database (LMSD)

Common Name
1'-Hydroxy-gamma-carotene
Systematic Name
1',2'-Dihydro-β,psi-caroten-1'-ol
Synonyms
  • 1'-OH-gamma-Carotene
  • Carotenoid B
LM ID
LMPR01070118
Formula
Exact Mass
Calculate m/z
554.448765
Status
Active

Classification

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)
DROCAXVXABCPBS-BXJPXMKJSA-N
InChi (Click to copy)
InChI=1S/C40H58O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-15,18-25,28-29,41H,16-17,26-27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+
SMILES (Click to copy)
CC(C)(CCC/C(=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)O

Other Databases

KEGG ID
CHEBI ID
LIPIDBANK ID
VCA1036
PubChem CID
Carotenoid ID

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
22nd Nov 2023