Structure Database (LMSD)

Common Name
Nostoxanthin
Systematic Name
(2R,3R,2'R,3'R)-β,β-Carotene-2,3,2',3'-tetrol
Synonyms
LM ID
LMPR01070104
Formula
C40H56O4
Exact Mass
Calculate m/z
600.417861
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
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
Pseudanabaena persicina (#945773)
Cyanophyceae (#3028117)
The carotenoids of blue-green algae,
Phytochemistry, 1971
Synechococcus elongatus (#32046)
Cyanophyceae (#3028117)
Carotenoids of Anacystis nidulans, structures of caloxanthin and nostoxanthin,
Phytochemistry, 1976

String Representations

InChiKey (Click to copy)
JVPASJUYZJKFHY-HWFHZMFDSA-N
InChi (Click to copy)
InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)37(43)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)26-36(42)38(44)40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1
SMILES (Click to copy)
[C@H]1(CC(=C(/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/C2=C(C[C@@H](O)[C@H](O)C2(C)C)C)\C)/C)C(C)([C@H]1O)C)C)O

Other Databases

KEGG ID
C16284
CHEBI ID
80421
LIPIDBANK ID
VCA1022
PubChem CID
16061239
Carotenoid ID
CA00346

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 2
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 681.96
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 9.63
Molar Refractivity 189.00

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Created at
-
Updated at
26th Dec 2021