RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0135409 | |
---|---|---|
RefMet name | Lutein | |
Systematic name | (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol | |
Synonyms | PubChem Synonyms | |
Exact mass | 568.428031 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C40H56O2 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 28997 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | KBPHJBAIARWVSC-RGZFRNHPSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C=C/C=C(\C)/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Prenol Lipids | |
Main Class | Isoprenoids | |
Sub Class | C40 isoprenoids | |
Distribution of Lutein in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting Lutein | |
External Links | ||
Pubchem CID | 5281243 | |
LIPID MAPS | LMPR01070274 | |
ChEBI ID | 28838 | |
KEGG ID | C08601 | |
HMDB ID | HMDB0003233 | |
EPA CompTox | DTXCID70809688 | |
Spectral data for Lutein standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |