2SA

2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID

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is present as a standalone ligand in 4 entries

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Chemical Component Summary
Name	2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID
Synonyms	ADENYLOSUCCINIC ACID
Identifiers	(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Formula	C₁₄ H₁₈ N₅ O₁₁ P
Molecular Weight	463.293
Type	RNA LINKING
Isomeric SMILES	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1
InChIKey	OFBHPPMPBOJXRT-VWJPMABRSA-N

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	5
Bond Count	51
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB04418
Name	Adenylosuccinic acid
Groups	experimental
Synonyms	Adenylosuccinic acid Succinyl AMP Aspartyl adenylate
Categories	Adenine Nucleotides Amino Acids Amino Acids, Acidic Amino Acids, Dicarboxylic Amino Acids, Peptides, and Proteins Excitatory Amino Acids Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	19046-78-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenylosuccinate synthetase isozyme 1	MSGTRASNDRPPGAGGVKRGRLQQEAAATGSRVTVVLGAQWGDEGKGKVV...	unknown

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