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name Structure Reference Source Properties Activities Metabolism

S-adenosyl-L-methioninate

AlkaPlorer ID: AK015461

Synonym: '', 'SAM', 'S-Adenosylmethionine', 'S-Adenosyl-L-methionine', 'AdoMet'

IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate

Structure

SMILES: C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O

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InChI: InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1

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InChIKey: MEFKEPWMEQBLKI-AIRLBKTGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 398.4450000000001

TPSA？: 185.46

MolLogP？: -3.256899999999996

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 31622.8 nM None
Escherichia coli Met repressor EC50 17.3 nM 10.1016/j.bmcl.2011.11.017
Escherichia coli Met repressor Kd 4.0 nM 10.1016/j.bmcl.2011.11.017
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 173.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -4.96 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 5.35 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 3162.3 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nicotinamide N-methyltransferase Km 8500.0 nM 10.1039/D1MD00016K
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phenylethanolamine N-methyltransferase Kd 4800.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Kd 7100.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Kd 7500.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Kd 10700.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Kd 11000.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Km 1200.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Km 2400.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Km 7100.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Km 9600.0 nM 10.1021/jm050568o
Homo sapiens Phenylethanolamine N-methyltransferase Km 11700.0 nM 10.1021/jm050568o
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 12000.0 nM 10.1016/j.bmcl.2010.02.069
Homo sapiens Protein-beta-aspartate methyltransferase Ki 48000.0 nM 10.1021/jm00079a007
Homo sapiens Protein-beta-aspartate methyltransferase Ki 164000.0 nM 10.1021/jm00079a007
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 19442.4 nM 10.1038/s41467-023-40064-9
Leishmania donovani Leishmania donovani Km 55000.0 nM 10.1021/jm00113a018
Paramecium bursaria Chlorella virus 1 Histone H3K27 methylase Kcat 0.00048 /min 10.1021/jm201000j
Paramecium bursaria Chlorella virus 1 Histone H3K27 methylase Kcat 7.4 /min 10.1021/jm201000j
Paramecium bursaria Chlorella virus 1 Histone H3K27 methylase Kcat/Km 7.7 /min/M 10.1021/jm201000j
Paramecium bursaria Chlorella virus 1 Histone H3K27 methylase Kcat/Km 123333.0 /min/M 10.1021/jm201000j
Paramecium bursaria Chlorella virus 1 Histone H3K27 methylase Km 60000.0 nM 10.1021/jm201000j
Paramecium bursaria Chlorella virus 1 Histone H3K27 methylase Km 62000.0 nM 10.1021/jm201000j
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Peripheral myelin protein 22 Potency 12.8 nM None
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Activity 17.0 % 10.1021/jm00176a004
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Activity 43.0 % 10.1021/jm00176a004
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Activity 69.0 % 10.1021/jm00176a004
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Inactivation time 25.0 min 10.1021/jm00347a014
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Inactivation time 28.0 min 10.1021/jm00347a014
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Inactivation time 77.0 min 10.1021/jm00347a014
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Inactivation time 100.0 min 10.1021/jm00347a014
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Ki 60000.0 nM 10.1021/jm00347a014
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Ki 300000.0 nM 10.1021/jm00347a014
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Km 51400.0 nM 10.1021/jm00176a004
Rattus norvegicus S-adenosylmethionine decarboxylase 1 Vmax 8.72 None 10.1021/jm00176a004
Sus scrofa Catechol O-methyltransferase Km 44600.0 nM 10.1021/jm9605187
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) 5-methylthioadenosine/S-adenosylhomocysteine deaminase Kcat 1.0 10^-3/s 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) 5-methylthioadenosine/S-adenosylhomocysteine deaminase Kcat/Km nan None 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) 5-methylthioadenosine/S-adenosylhomocysteine deaminase Km nan None 10.1038/nature05981
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 2.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 5.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None No relevant target Rf 0.2 None 10.1021/jm00210a026
None No relevant target Rf 0.34 None 10.1021/jm00210a026
None Nucleic Acid Activity nan None 10.1016/j.bmcl.2011.04.033
None Nucleic Acid Kd 6000.0 nM 10.1016/j.bmcl.2011.04.033
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Kcat 0.9 /min 10.1038/nchembio.2007.56
None Unchecked Kcat 3.9 /min 10.1021/jm201000j
None Unchecked Kcat/Km 900.0 /mM/min 10.1038/nchembio.2007.56
None Unchecked Kcat/Km 30952.0 /min/M 10.1021/jm201000j
None Unchecked Km 1000.0 nM 10.1038/nchembio.2007.56
None Unchecked Km 126000.0 nM 10.1021/jm201000j

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000290 *C(=O)OCC(CO)OC(*)=O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>*C(=O)OCC(COCCC(N)C(=O)O)OC(*)=O R09072
AKRT001680 C=C(Oc1cccc(C(=O)O)c1)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)c2cccc(C(=O)O)c2)[C@@H](O)[C@H]1O R10667
AKRT005164 CC(C)=CCNc1ncnc2[nH]cnc12.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncn(CCC(N)C(=O)O)c2ncnc1-2 R03726
AKRT006964 CC1=C(CCC(=O)O)C2=N/C1=C\c1c(C)c(CCC(=O)O)c3n1[Fe]n1/c(c(C)c(CCC(=O)O)/c1=C/2)=C\C1=N/C(=C\3)C(C)=C1CCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C=CC1=C(C)/C2=C/c3c(C=C)c(C)c4n3[Fe]n3/c(c(C)c(CCC(=O)O)/c3=C/C3=N/C(=C\4)C(C)=C3CCC(=O)O)=C\C1=N2 R12002
AKRT006965 CC1=C(CCC(=O)O)C2=N/C1=C\c1c(C)c(CCC(=O)O)c3n1[Fe]n1/c(c(C)c(CCC(=O)O)/c1=C/2)=C\C1=N/C(=C\3)C(C)=C1CCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R12002
AKRT011356 CO[C@H]1[C@@H](O)[C@H](c2cn(C)c(=O)[nH]c2=O)O[C@@H]1COP(C)(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CO[C@H]1[C@@H](O)[C@H](c2cn(C)c(=O)n(CC[C@H](N)C(=O)O)c2=O)O[C@@H]1COP(C)(=O)O 63292
AKRT012348 CSCC[C@H](N)C(=O)O.C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R12162
AKRT012404 CSCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O>>C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O enzymemap_41170
AKRT012406 CSCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O>>C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O enzymemap_41417
AKRT012409 CSCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R00177
AKRT014501 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C=O>>C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O enzymemap_81813
AKRT014503 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O R00075
AKRT014504 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2>>C=Cc1c2[nH]c(c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(C)c1C=C)C2 R06895
AKRT014505 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2>>CSCC[C@H](N)C(=O)O R06895
AKRT014506 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N[C@@H](C(=O)N[C@H]1CN([C@@H](C(=O)O)c2ccc(O)cc2)C1=O)c1ccc(O)cc1>>N[C@@H](CCOc1ccc([C@@H](N)C(=O)N[C@H]2CN([C@@H](C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O R10881
AKRT014507 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N[C@H](Cc1c[nH]cn1)C(=O)O>>N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O R12341
AKRT014508 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCO)[C@@H](O)[C@H]2O)c(=O)n1>>CC(O)CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O R12497
AKRT014509 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(N[C@H]1CN([C@@H](C(=O)O)c2ccc(O)cc2)C1=O)/C(=N\O)c1ccc(O)cc1>>N[C@@H](CCOc1ccc(/C(=N/O)C(=O)N[C@H]2CN([C@@H](C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O R03072
AKRT014510 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CSCC[C@H](N)C(=O)O R01078
AKRT014511 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R00075
AKRT014512 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R01078
AKRT014513 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S+](C)CC[C@H](N)C(=O)O enzymemap_25800
AKRT014514 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S+](CCC(=O)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R03231
AKRT014515 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O R00178
AKRT014516 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>NC1(C(=O)O)CC1 R00179
AKRT014517 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O enzymemap_41170
AKRT014518 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O enzymemap_41169
AKRT014519 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O enzymemap_58393
AKRT014520 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O R12497
AKRT014521 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>O=C=O R00178