Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002105
Chemical Info
Synonyms
Adenylosuccinate
N6-(1,2-Dicarboxyethyl)-AMP
Adenylosuccinic acid
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
SMILES
OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(COP(O)(O)=O)1
InChI Key
OFBHPPMPBOJXRT-VWJPMABRSA-N
Exact Mass
463.07404 g/mol
Chemical Info
Synonyms
Adenylosuccinate
N6-(1,2-Dicarboxyethyl)-AMP
Adenylosuccinic acid
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
SMILES
OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(COP(O)(O)=O)1
InChI Key
OFBHPPMPBOJXRT-VWJPMABRSA-N
Exact Mass
463.07404 g/mol
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