Metabolite information |
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| HMDB ID | HMDB0000977 |
| Synonyms |
3-Hexaprenyl-4-hydroxy-5-methoxybenzoate3-MHHB3-Methoxy-4-hydroxy-5-hexaprenylbenzoate3-Methoxy-4-hydroxy-5-hexaprenylbenzoic acidHexaprenyl-4-hydroxy-5-methoxybenzoateHexaprenyl-4-hydroxy-5-methoxybenzoic acid |
| Chemical formula | C38H56O4 |
| IUPAC name | 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoic acid |
| CAS registry number | 66551-60-8 |
| Monoisotopic molecular weight | 576.41786028 |
Chemical taxonomy |
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| Super class | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Sub class | Polyprenylphenols |
Biological properties |
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| Pathways (Pathway Details in HMDB) |
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| Reference | Country | Specimen | Marker function | Participants (Case) | Participants (Control) | |||||||||
| Cancer type | Stage | Number | Gender (M,F) | Age mean (range) (M/F) | Smoking status | Type | Number | Gender (M,F) | Age mean (range) (M/F) | Smoking status | ||||
| Yang et al. 2010 | China | urine | diagnosis | adenocarcinoma, squamous cell carcinoma | – | 35 | 23, 12 | 61.8 ± 13.3, 57.4 ± 9.8 | – | healthy | 32 | 27, 5 | 57.1 ± 9.9 / 45.6 ± 10.8 | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Yang et al. 2010 | LC | ESI | positive | QTRAP | MS/MS |
| Reference | Data processing software | Database search |
| Yang et al. 2010 | MarkerView | HMDB, KEGG, Pubchem, mass bank |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Yang et al. 2010 | OSC PLS-DA | – | – | 12.40 | – | – | 3.11 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Yang et al. 2010 | – | – | – | – | – | – |