LIPID MAPS

Structure Database (LMSD)

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Common Name

Vitixanthin

Systematic Name

(6R)-19'-Ethanoyloxy-6-hydroxy-3-oxo-8',9'-didehydro-7',8',9',10'-tetrahydro-7'-apo-ε,psi-caroten-7'-oic acid

Synonyms

LM ID

LMPR01070603

Formula

C₃₃H₄₂O₆

Exact Mass

Calculate m/z

534.29814

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PXIAYYSYXOBGLA-IYHIIZRQSA-N

InChi (Click to copy)

InChI=1S/C33H42O6/c1-24(12-8-9-13-25(2)16-11-17-29(21-31(36)37)23-39-28(5)34)14-10-15-26(3)18-19-33(38)27(4)20-30(35)22-32(33,6)7/h8-16,18-21,38H,17,22-23H2,1-7H3,(H,36,37)/b9-8+,14-10+,16-11+,19-18+,24-12+,25-13+,26-15+,29-21-/t33-/m0/s1

SMILES (Click to copy)

C1C(C)(C)[C@](O)(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C/C(/COC(=O)C)=C/C(=O)O)C(C)=CC1=O

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cochlospermum vitifolium (#66675)

Magnoliopsida (#3398)

Vitixanthin and dihydrovitixanthin. New unusual 7'-apocarotenoic acids from Cochlospermum vitifolium,
Tetrahedron Letts, 1989

DOI: 10.1016/S0040-4039(00)99402-4

Other Databases

PubChem CID

162922967

Carotenoid ID

CA00875

Calculated Physicochemical Properties

Heavy Atoms 39

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 588.16

Topological Polar Surface Area 100.90

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 7.26

Molar Refractivity 157.91

Admin

Created at

17th Nov 2021

Updated at

30th Nov 2021