A3P

ADENOSINE-3'-5'-DIPHOSPHATE

Created:	1999-07-08
Last modified:	2024-09-27

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121 entries where A3P is found as a standalone ligand2 entries where A3P is covalently linked to polymer or other heterogen groups 8 entries where A3P is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	4
Bond Count	44
Aromatic Bond Count	10

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Chemical Component Summary
Name	ADENOSINE-3'-5'-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Formula	C₁₀ H₁₅ N₅ O₁₀ P₂
Molecular Weight	427.201
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
InChI	InChI	1.03	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	WHTCPDAXWFLDIH-KQYNXXCUSA-N

Drug Info: DrugBank

DrugBank ID	DB01812
Name	Adenosine 3',5'-diphosphate
Groups	experimental
Synonyms	Adenosine 3',5'-diphosphate Adenosine 3'-phosphate-5'-phosphate 3',5'-ADP Adenosine 3',5'-bismonophosphate Phosphoadenosine phosphate 3'-Phosphoadenosine 5'-phosphate
Categories	Adenine Nucleotides Heterocyclic Compounds, Fused-Ring Isomerism Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	1053-73-2

Drug Targets

Name	Target Sequence	Pharmacological Action
Heparan sulfate glucosamine 3-O-sulfotransferase 1	MAALLLGAVLLVAQPQLVPSRPAELGQQELLRKAGTLQDDVRDGVAPNGS...	unknown
Sulfotransferase family cytosolic 2B member 1	MDGPAEPQIPGLWDTYEDDISEISQKLPGEYFRYKGVPFPVGLYSLESIS...	unknown
Non-secretory ribonuclease	MVPKLFTSQICLLLLLGLLAVEGSLHVKPPQFTWAQWFETQHINMTSQQC...	unknown
Sulfotransferase 1A1	MELIQDTSRPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLISTYPKSG...	unknown
Heparan sulfate glucosamine 3-O-sulfotransferase 3A1	MAPPGPASALSTSAEPLSRSIFRKFLLMLCSLLTSLYVFYCLAERCQTLS...	unknown
Ribonuclease pancreatic	MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...	unknown
Bile salt sulfotransferase	MSDDFLWFEGIAFPTMGFRSETLRKVRDEFVIRDEDVIILTYPKSGTNWL...	unknown
Estrogen sulfotransferase	MNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGT...	unknown
DNA topoisomerase 1	MGKALVIVESPAKAKTINKYLGSDYVVKSSVGHIRDLPTSGSAAKKSADS...	unknown
Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1	MPALACLRRLCRHVSPQAVLFLLFIFCLFSVFISAYYLYGWKRGLEPSAD...	unknown
Holo-[acyl-carrier-protein] synthase	MIVGHGIDIEELASIESAVTRHEGFAKRVLTAQEMERFTSLKGRRQIEYL...	unknown
Sulfotransferase family cytosolic 1B member 1	MLSPKDILRKDLKLVHGYPMTCAFASNWEKIEQFHSRPDDIVIATYPKSG...	unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682