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Showing metabocard for Adenosine triphosphate (HMDB0000538)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1037)transporters (3) Show 1040 proteinsXML
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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-01-20 23:33:48 UTC
HMDB IDHMDB0000538
Secondary Accession Numbers
  • HMDB00538
Metabolite Identification
Common NameAdenosine triphosphate
DescriptionAdenosine triphosphate (ATP) is a nucleotide consisting of a purine base (adenine) attached to the first carbon atom of ribose (a pentose sugar). Three phosphate groups are esterified at the fifth carbon atom of the ribose. ATP is incorporated into nucleic acids by polymerases in the processes of DNA replication and transcription. ATP contributes to cellular energy charge and participates in overall energy balance, maintaining cellular homeostasis. ATP can act as an extracellular signaling molecule via interactions with specific purinergic receptors to mediate a wide variety of processes as diverse as neurotransmission, inflammation, apoptosis, and bone remodelling. Extracellular ATP and its metabolite adenosine have also been shown to exert a variety of effects on nearly every cell type in human skin, and ATP seems to play a direct role in triggering skin inflammatory, regenerative, and fibrotic responses to mechanical injury, an indirect role in melanocyte proliferation and apoptosis, and a complex role in Langerhans cell-directed adaptive immunity. During exercise, intracellular homeostasis depends on the matching of adenosine triphosphate (ATP) supply and ATP demand. Metabolites play a useful role in communicating the extent of ATP demand to the metabolic supply pathways. Effects as different as proliferation or differentiation, chemotaxis, release of cytokines or lysosomal constituents, and generation of reactive oxygen or nitrogen species are elicited upon stimulation of blood cells with extracellular ATP. The increased concentration of adenosine triphosphate (ATP) in erythrocytes from patients with chronic renal failure (CRF) has been observed in many studies but the mechanism leading to these abnormalities still is controversial. (PMID: 15490415 , 15129319 , 14707763 , 14696970 , 11157473 ).
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000538 (Adenosine triphosphate)

  Mrv1652309182018362D          

 31 33  0  0  0  0            999 V2000
10001.0181 9999.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5107 9998.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7317 9999.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4453 9999.9193    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1672 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.034910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.859910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.8829 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.468310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.293310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.632310000.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2198 9998.7306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0448 9998.7306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.2997 9999.5152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.138710000.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8838 9999.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4359 9998.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2429 9998.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4978 9999.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.945710000.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2515 9999.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.165310000.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.358410000.9156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.586710000.6427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9659 9999.5109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.7351 9998.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.5944 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.3101 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10004.895610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.0217 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.720610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14  1  1  6  0  0  0
 13  2  1  1  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 21  1  0  0  0  0
 15 24  1  0  0  0  0
 25 21  1  6  0  0  0
 25 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000538 (Adenosine triphosphate)

HMDB0000538
     RDKit          3D
Adenosine triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9960    0.3681   -0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6948    0.8914   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4635    2.2097   -0.4343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3035    2.8039   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155    2.0164   -0.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3098    0.6795   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5831    0.0815   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666   -1.2285   -0.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0619   -1.4734   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.3222   -0.7658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919   -0.0700   -0.6983 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3076   -1.2994   -0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.9434   -0.1022 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0606   -1.7218   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0139    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.3529   -0.5093 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3715   -0.0067   -1.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    1.0750    0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.3703   -0.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -1.5674    0.4480 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3752   -3.0526    0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011   -0.6842    1.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.0099    0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8452    0.4434   -0.8224 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6843    0.5523   -1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344    0.6531   -1.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073    1.7223    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -0.7353    1.2452 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0644   -0.2140    2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.3159    0.8011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3196    1.5974    0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728    0.6431   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1245   -0.3231    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2260    3.8712   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -2.4814   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.6370   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1647   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -2.7275    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.8469   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    1.8818   -0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -1.1557    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390    0.3671   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    2.5294   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.6085    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.4663    3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.2086    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9626    1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  6
 13 37  1  6
 14 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 26 42  1  0
 27 43  1  0
 28 44  1  1
 29 45  1  0
 30 46  1  1
 31 47  1  0
M  END
Download

3D SDF for HMDB0000538 (Adenosine triphosphate)

  Mrv1652309182018362D          

 31 33  0  0  0  0            999 V2000
10001.0181 9999.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5107 9998.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7317 9999.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4453 9999.9193    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1672 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.034910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.859910000.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.8829 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.468310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.293310000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.632310000.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2198 9998.7306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0448 9998.7306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.2997 9999.5152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.138710000.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8838 9999.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4359 9998.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2429 9998.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4978 9999.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.945710000.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2515 9999.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.165310000.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.358410000.9156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.586710000.6427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9659 9999.5109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.7351 9998.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.5944 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.3101 9999.9315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10004.895610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.0217 9999.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.720610000.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14  1  1  6  0  0  0
 13  2  1  1  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 21  1  0  0  0  0
 15 24  1  0  0  0  0
 25 21  1  6  0  0  0
 25 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000538

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
ZKHQWZAMYRWXGA-KQYNXXCUSA-N

> <FORMULA>
C10H16N5O13P3

> <MOLECULAR_WEIGHT>
507.181

> <EXACT_MASS>
506.995745159

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
38.917323034745216

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.84

> <JCHEM_LOGP>
-5.8040500921722185

> <ALOGPS_LOGS>
-2.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.514544315172339

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.895367248482958

> <JCHEM_PKA_STRONGEST_BASIC>
4.0142158810282655

> <JCHEM_POLAR_SURFACE_AREA>
279.13

> <JCHEM_REFRACTIVITY>
95.81429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000538 (Adenosine triphosphate)

HMDB0000538
     RDKit          3D
Adenosine triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9960    0.3681   -0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6948    0.8914   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4635    2.2097   -0.4343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3035    2.8039   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155    2.0164   -0.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3098    0.6795   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5831    0.0815   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666   -1.2285   -0.6349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0619   -1.4734   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.3222   -0.7658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919   -0.0700   -0.6983 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3076   -1.2994   -0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.9434   -0.1022 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0606   -1.7218   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0139    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.3529   -0.5093 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3715   -0.0067   -1.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    1.0750    0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.3703   -0.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -1.5674    0.4480 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3752   -3.0526    0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011   -0.6842    1.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.0099    0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8452    0.4434   -0.8224 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.6843    0.5523   -1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344    0.6531   -1.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073    1.7223    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -0.7353    1.2452 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0644   -0.2140    2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.3159    0.8011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3196    1.5974    0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7728    0.6431   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1245   -0.3231    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2260    3.8712   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -2.4814   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.6370   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1647   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -2.7275    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.8469   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    1.8818   -0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -1.1557    2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390    0.3671   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    2.5294   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.6085    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.4663    3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.2086    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9626    1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  6
 13 37  1  6
 14 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 26 42  1  0
 27 43  1  0
 28 44  1  1
 29 45  1  0
 30 46  1  1
 31 47  1  0
M  END
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PDB for HMDB0000538 (Adenosine triphosphate)

HEADER    PROTEIN                                 18-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-SEP-20         0                                  
HETATM    1  C   UNK     0    8668.5678666.516   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8667.6208663.043   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8669.8998665.744   0.000  0.00  0.00           O+0
HETATM    4  P   UNK     0    8671.2318666.516   0.000  0.00  0.00           P+0
HETATM    5  O   UNK     0    8672.5798665.771   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8670.4658667.851   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8672.0058667.851   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0    8673.9158666.539   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0    8673.1418667.873   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8674.6818667.873   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8665.9808666.667   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8665.2108664.297   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8666.7508664.297   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8667.2268665.762   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8659.4598666.722   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    8658.9838665.258   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    8660.0148664.113   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0    8661.5208664.433   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0    8661.9968665.898   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8660.9658667.042   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0    8663.4038666.524   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0    8663.2428668.055   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0    8661.7368668.376   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0    8658.4298667.866   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0    8664.7368665.754   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0    8664.3068663.051   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0    8675.2438665.771   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0    8676.5798666.539   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0    8675.8058667.873   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0    8677.9078665.771   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0    8677.3458667.873   0.000  0.00  0.00           O+0
CONECT    1    3   14                                                       
CONECT    2   13                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5    6    7                                             
CONECT    5    4    8                                                       
CONECT    6    4                                                            
CONECT    7    4                                                            
CONECT    8    5    9   10   27                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11   14   25                                                       
CONECT   12   13   25   26                                                  
CONECT   13   12   14    2                                                  
CONECT   14   13   11    1                                                  
CONECT   15   20   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   20   18   21                                                  
CONECT   20   19   15   23                                                  
CONECT   21   22   19   25                                                  
CONECT   22   23   21                                                       
CONECT   23   22   20                                                       
CONECT   24   15                                                            
CONECT   25   21   12   11                                                  
CONECT   26   12                                                            
CONECT   27   28    8                                                       
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END
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3D PDB for HMDB0000538 (Adenosine triphosphate)

COMPND    HMDB0000538
HETATM    1  N1  UNL     1      -7.996   0.368  -0.231  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.695   0.891  -0.457  1.00  0.00           C  
HETATM    3  N2  UNL     1      -6.463   2.210  -0.434  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.304   2.804  -0.533  1.00  0.00           C  
HETATM    5  N3  UNL     1      -4.215   2.016  -0.670  1.00  0.00           N  
HETATM    6  C3  UNL     1      -4.310   0.680  -0.697  1.00  0.00           C  
HETATM    7  C4  UNL     1      -5.583   0.082  -0.593  1.00  0.00           C  
HETATM    8  N4  UNL     1      -5.367  -1.228  -0.635  1.00  0.00           N  
HETATM    9  C5  UNL     1      -4.062  -1.473  -0.743  1.00  0.00           C  
HETATM   10  N5  UNL     1      -3.435  -0.322  -0.766  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.992  -0.070  -0.698  1.00  0.00           C  
HETATM   12  O1  UNL     1      -1.308  -1.299  -0.837  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.169  -0.943  -0.102  1.00  0.00           C  
HETATM   14  C8  UNL     1       1.061  -1.722  -0.266  1.00  0.00           C  
HETATM   15  O2  UNL     1       2.000  -1.014   0.587  1.00  0.00           O  
HETATM   16  P1  UNL     1       3.135  -0.353  -0.509  1.00  0.00           P  
HETATM   17  O3  UNL     1       2.372  -0.007  -1.798  1.00  0.00           O  
HETATM   18  O4  UNL     1       3.667   1.075   0.230  1.00  0.00           O  
HETATM   19  O5  UNL     1       4.352  -1.370  -0.866  1.00  0.00           O  
HETATM   20  P2  UNL     1       5.379  -1.567   0.448  1.00  0.00           P  
HETATM   21  O6  UNL     1       5.375  -3.053   0.773  1.00  0.00           O  
HETATM   22  O7  UNL     1       4.801  -0.684   1.762  1.00  0.00           O  
HETATM   23  O8  UNL     1       6.895  -1.010   0.013  1.00  0.00           O  
HETATM   24  P3  UNL     1       6.845   0.443  -0.822  1.00  0.00           P  
HETATM   25  O9  UNL     1       5.684   0.552  -1.782  1.00  0.00           O  
HETATM   26  O10 UNL     1       8.234   0.653  -1.796  1.00  0.00           O  
HETATM   27  O11 UNL     1       6.807   1.722   0.287  1.00  0.00           O  
HETATM   28  C9  UNL     1      -0.773  -0.735   1.245  1.00  0.00           C  
HETATM   29  O12 UNL     1       0.064  -0.214   2.210  1.00  0.00           O  
HETATM   30  C10 UNL     1      -1.815   0.316   0.801  1.00  0.00           C  
HETATM   31  O13 UNL     1      -1.320   1.597   0.841  1.00  0.00           O  
HETATM   32  H1  UNL     1      -8.773   0.643  -0.842  1.00  0.00           H  
HETATM   33  H2  UNL     1      -8.124  -0.323   0.539  1.00  0.00           H  
HETATM   34  H3  UNL     1      -5.226   3.871  -0.513  1.00  0.00           H  
HETATM   35  H4  UNL     1      -3.656  -2.481  -0.821  1.00  0.00           H  
HETATM   36  H5  UNL     1      -1.690   0.637  -1.405  1.00  0.00           H  
HETATM   37  H6  UNL     1       0.069   0.165  -0.426  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.938  -2.727   0.232  1.00  0.00           H  
HETATM   39  H8  UNL     1       1.485  -1.847  -1.227  1.00  0.00           H  
HETATM   40  H9  UNL     1       3.474   1.882  -0.369  1.00  0.00           H  
HETATM   41  H10 UNL     1       4.917  -1.156   2.614  1.00  0.00           H  
HETATM   42  H11 UNL     1       9.039   0.367  -1.333  1.00  0.00           H  
HETATM   43  H12 UNL     1       7.258   2.529  -0.008  1.00  0.00           H  
HETATM   44  H13 UNL     1      -1.341  -1.609   1.612  1.00  0.00           H  
HETATM   45  H14 UNL     1      -0.339  -0.466   3.107  1.00  0.00           H  
HETATM   46  H15 UNL     1      -2.726   0.209   1.380  1.00  0.00           H  
HETATM   47  H16 UNL     1      -1.171   1.963   1.722  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   34
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   35
CONECT   10   11
CONECT   11   12   30   36
CONECT   12   13
CONECT   13   14   28   37
CONECT   14   15   38   39
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   40
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   41
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   42
CONECT   27   43
CONECT   28   29   30   44
CONECT   29   45
CONECT   30   31   46
CONECT   31   47
END
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SMILES for HMDB0000538 (Adenosine triphosphate)

NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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INCHI for HMDB0000538 (Adenosine triphosphate)

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
Chemical FormulaC10H16N5O13P3
Average Molecular Weight507.181
Monoisotopic Molecular Weight506.995745159
IUPAC Name({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Nameadenosine triphosphate
CAS Registry Number56-65-5
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI KeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside triphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Alkyl phosphate
  • Pyrimidine
  • Azole
  • Tetrahydrofuran
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organic oxygen compound
  • Alcohol
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility1000 mg/mL; 862 mg/mL (magnesium salt)MERCK INDEX (1996); Human Metabolome Project (salt)
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available190.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00000106
[M+H]+Not Available196.8http://allccs.zhulab.cn/database/detail?ID=AllCCS00000106
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
  • Nucleus
  • Endoplasmic reticulum
  • Peroxisome
Biospecimen Locations
  • Blood
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Saliva
Tissue Locations
  • Adipose Tissue
  • Bladder
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Pancreas
  • Platelet
  • Skeletal Muscle
Pathways
Normal Concentrations
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Cerebrospinal Fluid (CSF)Detected and Quantified0.23 +/- 0.19 uMAdult (>18 years old)BothRachialgia details
Cerebrospinal Fluid (CSF)Detected and Quantified0.80 +/- 0.63 uMAdult (>18 years old)BothSubarachnoid hemorrhage details
Cerebrospinal Fluid (CSF)Detected and Quantified1.08 +/- 0.77 uMAdult (>18 years old)BothEpilepsy details
Cerebrospinal Fluid (CSF)Detected and Quantified0.26 +/- 0.11 uMAdult (>18 years old)Both
Stroke		 details
Cerebrospinal Fluid (CSF)Detected and Quantified1.09 +/- 0.76 uMAdult (>18 years old)BothNeuroinfection details
Associated Disorders and Diseases
Disease References
Rachialgia
  1. Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Subarachnoid hemorrhage
  1. Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Epilepsy
  1. Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Stroke
  1. Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Neuroinfection
  1. Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Associated OMIM IDs
DrugBank IDDB00171
Phenol Explorer Compound IDNot Available
FooDB IDFDB030683
KNApSAcK IDC00001491
Chemspider ID5742
KEGG Compound IDC00002
BioCyc IDATP
BiGG ID33477
Wikipedia LinkAdenosine_triphosphate
METLIN ID5523
PubChem Compound5957
PDB IDNot Available
ChEBI ID15422
Food Biomarker OntologyNot Available
VMH IDATP
MarkerDB IDMDB00000185
Good Scents IDNot Available
References
Synthesis ReferenceClark, V. M.; Kirby, G. W.; Todd, Alexander. Phosphorylation. XV. Use of phosphoramidic esters in acylation-new preparation of adenosine 5'-pyrophosphate and adenosine 5'-triphosphate. Journal of the Chemical Society (1957), 1497-1501.
Material Safety Data Sheet (MSDS)Not Available
General References

Only showing the first 10 proteins. There are 1040 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. UMP-CMP kinase
General function:
Involved in ATP binding
Specific function:
Catalyzes specific phosphoryl transfer from ATP to UMP and CMP.
Gene Name:
CMPK1
Uniprot ID:
P30085
Molecular weight:
20180.12
Reactions
Adenosine triphosphate + (d)CMP → ADP + (d)CDPdetails
Adenosine triphosphate + Uridine 5'-monophosphate → ADP + Uridine 5'-diphosphatedetails
Adenosine triphosphate + Cytidine monophosphate → ADP + CDPdetails
Adenosine triphosphate + dCMP → ADP + dCDPdetails
Enzyme Details
2. Deoxycytidine kinase
General function:
Involved in ATP binding
Specific function:
Required for the phosphorylation of the deoxyribonucleosides deoxycytidine (dC), deoxyguanosine (dG) and deoxyadenosine (dA). Has broad substrate specificity, and does not display selectivity based on the chirality of the substrate. It is also an essential enzyme for the phosphorylation of numerous nucleoside analogs widely employed as antiviral and chemotherapeutic agents.
Gene Name:
DCK
Uniprot ID:
P27707
Molecular weight:
30518.315
Reactions
Adenosine triphosphate + Adenosine → ADP + Adenosine monophosphatedetails
Adenosine triphosphate + Deoxycytidine → ADP + dCMPdetails
Enzyme Details
3. ATP-citrate synthase
General function:
Involved in ATP citrate synthase activity
Specific function:
ATP citrate-lyase is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA in many tissues. Has a central role in de novo lipid synthesis. In nervous tissue it may be involved in the biosynthesis of acetylcholine.
Gene Name:
ACLY
Uniprot ID:
P53396
Molecular weight:
120838.27
Reactions
ADP + Phosphate + Acetyl-CoA + Oxalacetic acid → Adenosine triphosphate + Citric acid + Coenzyme Adetails
Adenosine triphosphate + Citric acid + Coenzyme A → ADP + Phosphate + Acetyl-CoA + Oxalacetic aciddetails
Enzyme Details
4. Acetyl-CoA carboxylase 2
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
ACC-beta may be involved in the provision of malonyl-CoA or in the regulation of fatty acid oxidation, rather than fatty acid biosynthesis. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:
ACACB
Uniprot ID:
O00763
Molecular weight:
276538.575
Reactions
Adenosine triphosphate + Acetyl-CoA + Hydrogen carbonate → ADP + Phosphate + Malonyl-CoAdetails
Adenosine triphosphate + biotin-[carboxyl-carrier-protein] + CO(2) → ADP + Phosphate + carboxy-biotin-[carboxyl-carrier-protein]details
Adenosine triphosphate + Holo-[carboxylase] + Hydrogen carbonate → ADP + Phosphate + Carboxybiotin-carboxyl-carrier proteindetails
Enzyme Details
5. Pyruvate carboxylase, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Pyruvate carboxylase catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second. Catalyzes in a tissue specific manner, the initial reactions of glucose (liver, kidney) and lipid (adipose tissue, liver, brain) synthesis from pyruvate.
Gene Name:
PC
Uniprot ID:
P11498
Molecular weight:
129632.565
Reactions
Adenosine triphosphate + Pyruvic acid + Hydrogen carbonate → ADP + Phosphate + Oxalacetic aciddetails
Enzyme Details
6. Acetyl-coenzyme A synthetase, cytoplasmic
General function:
Involved in acetate-CoA ligase activity
Specific function:
Activates acetate so that it can be used for lipid synthesis or for energy generation.
Gene Name:
ACSS2
Uniprot ID:
Q9NR19
Molecular weight:
78579.11
Reactions
Adenosine triphosphate + Acetic acid + Coenzyme A → Adenosine monophosphate + Pyrophosphate + Acetyl-CoAdetails
Adenosine triphosphate + Acetic acid → Pyrophosphate + Acetyl adenylatedetails
Adenosine triphosphate + Propionic acid → Pyrophosphate + Propinol adenylatedetails
Enzyme Details
7. Acetyl-coenzyme A synthetase 2-like, mitochondrial
General function:
Involved in acetate-CoA ligase activity
Specific function:
Important for maintaining normal body temperature during fasting and for energy homeostasis. Essential for energy expenditure under ketogenic conditions (By similarity). Converts acetate to acetyl-CoA so that it can be used for oxidation through the tricarboxylic cycle to produce ATP and CO(2).
Gene Name:
ACSS1
Uniprot ID:
Q9NUB1
Molecular weight:
74625.88
Reactions
Adenosine triphosphate + Acetic acid + Coenzyme A → Adenosine monophosphate + Pyrophosphate + Acetyl-CoAdetails
Adenosine triphosphate + Acetic acid → Pyrophosphate + Acetyl adenylatedetails
Adenosine triphosphate + Propionic acid → Pyrophosphate + Propinol adenylatedetails
Enzyme Details
8. Acetyl-CoA carboxylase 1
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Catalyzes the rate-limiting reaction in the biogenesis of long-chain fatty acids. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:
ACACA
Uniprot ID:
Q13085
Molecular weight:
269997.01
Reactions
Adenosine triphosphate + Acetyl-CoA + Hydrogen carbonate → ADP + Phosphate + Malonyl-CoAdetails
Adenosine triphosphate + biotin-[carboxyl-carrier-protein] + CO(2) → ADP + Phosphate + carboxy-biotin-[carboxyl-carrier-protein]details
Adenosine triphosphate + Holo-[carboxylase] + Hydrogen carbonate → ADP + Phosphate + Carboxybiotin-carboxyl-carrier proteindetails
Enzyme Details
9. Thymidylate kinase
General function:
Involved in thymidylate kinase activity
Specific function:
Catalyzes the conversion of dTMP to dTDP.
Gene Name:
DTYMK
Uniprot ID:
P23919
Molecular weight:
23819.105
Reactions
Adenosine triphosphate + 5-Thymidylic acid → ADP + dTDPdetails
Adenosine triphosphate + dUMP → ADP + dUDPdetails
Enzyme Details
10. Ectonucleoside triphosphate diphosphohydrolase 1
General function:
Involved in hydrolase activity
Specific function:
In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:
ENTPD1
Uniprot ID:
P49961
Molecular weight:
58706.0
Reactions
Adenosine triphosphate + Water → Adenosine monophosphate + Phosphatedetails
Adenosine triphosphate + Water → ADP + Phosphatedetails

Transporters

Enzyme Details
1. Copper-transporting ATPase 2
General function:
Involved in ATP binding
Specific function:
Involved in the export of copper out of the cells, such as the efflux of hepatic copper into the bile.
Gene Name:
ATP7B
Uniprot ID:
P35670
Molecular weight:
157261.34
Enzyme Details
2. Copper-transporting ATPase 1
General function:
Involved in ATP binding
Specific function:
May supply copper to copper-requiring proteins within the secretory pathway, when localized in the trans-Golgi network. Under conditions of elevated extracellular copper, it relocalized to the plasma membrane where it functions in the efflux of copper from cells.
Gene Name:
ATP7A
Uniprot ID:
Q04656
Molecular weight:
163372.275
Enzyme Details
3. Antigen peptide transporter 1
General function:
Involved in ATP binding
Specific function:
Involved in the transport of antigens from the cytoplasm to the endoplasmic reticulum for association with MHC class I molecules. Also acts as a molecular scaffold for the final stage of MHC class I folding, namely the binding of peptide. Nascent MHC class I molecules associate with TAP via tapasin. Inhibited by the covalent attachment of herpes simplex virus ICP47 protein, which blocks the peptide-binding site of TAP. Inhibited by human cytomegalovirus US6 glycoprotein, which binds to the lumenal side of the TAP complex and inhibits peptide translocation by specifically blocking ATP-binding to TAP1 and prevents the conformational rearrangement of TAP induced by peptide binding. Inhibited by human adenovirus E3-19K glycoprotein, which binds the TAP complex and acts as a tapasin inhibitor, preventing MHC class I/TAP association. Expression of TAP1 is down-regulated by human Epstein-Barr virus vIL-10 protein, thereby affecting the transport of peptides into the endoplasmic reticulum and subsequent peptide loading by MHC class I molecules
Gene Name:
TAP1
Uniprot ID:
Q03518
Molecular weight:
87216.9

Only showing the first 10 proteins. There are 1040 proteins in total.

Show all enzymes and transporters