Structure Database (LMSD)

Common Name
Chloroxanthin
Systematic Name
1,2,7',8'-Tetrahydro-psi,psi-caroten-1-ol
Synonyms
  • Hydroxyneurosporene
  • OH-Neurosporene
LM ID
LMPR01070113
Formula
C40H60O
Exact Mass
Calculate m/z
556.464415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IWZRTQIXVDXLNL-PZKADDIDSA-N
InChi (Click to copy)
InChI=1S/C40H60O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17,19-21,23-27,29-30,41H,13,16,18,22,28,31-32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(CC(C)(C)O)C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/CC/C=C(/CC/C=C(\C)/C)\C)\C)/C)/C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum (#1085)
Alphaproteobacteria (#28211)
Carotenoids and Carotenogenesis in Anoxygenic Photosynthetic Bacteria,
The Photochemistry of Carotenoids, 2004

Other Databases

KEGG ID
C15892
CHEBI ID
138077
LIPIDBANK ID
VCA1031
PubChem CID
9915740
Carotenoid ID
CA00075

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 680.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.64
Molar Refractivity 187.66

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Created at
-
Updated at
5th Oct 2022