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Human Metabolome Database Version 3.5

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HMDB IDDouble
CAS Number		 NameDouble Structure FormulaDouble
Average MassDouble
Mono MassDouble 		Biofluid Location
HMDB00460
77059-13-3		 7-Hydroxy-3-oxocholanoic acid Thumb C24H38O4
390.5561
390.277009704
HMDB00462
97-59-6		 Allantoin Thumb C4H6N4O3
158.1154
158.043990078
  • Cerebrospinal Fluid (CSF)
  • Urine
  • Blood
HMDB00464
7440-70-2		 Calcium Thumb Ca
40.078
39.962591155
  • Cerebrospinal Fluid (CSF)
  • Blood
  • Urine
HMDB00466
83-34-1		 3-Methylindole Thumb C9H9N
131.1745
131.073499293
HMDB00467
4651-67-6		 Nutriacholic acid Thumb C24H38O4
390.5561
390.277009704
HMDB00468
22150-76-1		 Biopterin Thumb C9H11N5O3
237.2153
237.086189243
  • Cerebrospinal Fluid (CSF)
  • Blood
  • Cellular Cytoplasm
  • Urine
HMDB00469
4433-40-3		 5-Hydroxymethyluracil Thumb C5H6N2O3
142.1127
142.037842068
  • Blood
  • Urine
HMDB00472
4350-09-8		 5-Hydroxy-L-tryptophan Thumb C11H12N2O3
220.2246
220.08479226
  • Blood
  • Urine
  • Cerebrospinal Fluid (CSF)
HMDB00473
938-55-6		 6-Dimethylaminopurine Thumb C7H9N5
163.1799
163.085795313
  • Blood
HMDB00474
78-93-3		 Butanone Thumb C4H8O
72.1057
72.057514878
  • Blood
  • Urine
HMDB00476
88179-71-9		 3-Oxo-4,6-choladienoic acid Thumb C24H34O3
370.525
370.250794954
HMDB00477
28290-73-5		 7Z,10Z-Hexadecadienoic acid Thumb C16H28O2
252.3923
252.20893014
HMDB00478
1912-55-6		 Allodeoxycholic acid Thumb C24H40O4
392.572
392.292659768
HMDB00479
368-16-1		 3-Methylhistidine Thumb C7H11N3O2
169.1811
169.085126611
  • Urine
  • Blood
  • Cerebrospinal Fluid (CSF)
HMDB00481
16220-07-8		 Allopurinol riboside Thumb C10H12N4O5
268.2261
268.080769514
  • Blood
HMDB00482
124-07-2		 Caprylic acid Thumb C8H16O2
144.2114
144.115029756
  • Cerebrospinal Fluid (CSF)
  • Blood
  • Urine
HMDB00483
59906-15-9		 5b-Cholestane-3a,7a,12a,23S,25-pentol Thumb C27H48O5
452.667
452.350174646
HMDB00484
121-34-6		 Vanillic acid Thumb C8H8O4
168.1467
168.042258744
  • Urine
  • Blood
HMDB00486
17173-14-7		 7-Hydroxyoctanoic acid Thumb C8H16O3
160.2108
160.109944378
  • Urine
HMDB00488
69853-43-6		 4E,15Z-Bilirubin IXa Thumb C33H36N4O6
584.6621
584.263484904
HMDB00489
2776-93-4		 Aspartylglycosamine Thumb C12H21N3O8
335.3104
335.132864663
  • Urine
HMDB00490
53-42-9		 Etiocholanolone Thumb C19H30O2
290.4403
290.224580204
  • Blood
  • Urine
HMDB00491
1460-34-0		 3-Methyl-2-oxovaleric acid Thumb C6H10O3
130.1418
130.062994186
  • Urine
  • Blood
  • Cerebrospinal Fluid (CSF)
HMDB00492
16887-00-6		 Chlorine Thumb Cl
35.453
34.968852707
  • Cerebrospinal Fluid (CSF)
  • Blood
  • Urine
HMDB00493
571-20-0		 5a-Androstane-3b,17b-diol Thumb C19H32O2
292.4562
292.240230268
  • Blood