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Substance Name: Aspartyl adenylate
RN: 19046-78-7
UNII: X1B4ZJ0IIV
InChIKey: OFBHPPMPBOJXRT-VWJPMABRSA-N

Molecular Formula

  • C14-H18-N5-O11-P

Molecular Weight

  • 463.2942
 
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Names and Synonyms

Name of Substance

  • Aspartyl adenylate

Synonym

  • UNII-X1B4ZJ0IIV

Systematic Name

  • L-Aspartic acid, N-(9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)-

Registry Numbers

CAS Registry Number

  • 19046-78-7

FDA UNII

  • X1B4ZJ0IIV

System Generated Number

  • 0019046787

Structure Descriptors

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

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