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Concept information

Preferred term

oscr#19-coa  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C39H66N7O21P3S

has_functional_parent

inchi

  • InChI=1S/C39H66N7O21P3S/c1-24-25(47)19-26(48)38(64-24)61-17-12-10-8-6-4-5-7-9-11-13-29(50)71-18-16-41-28(49)14-15-42-36(53)33(52)39(2,3)21-63-70(59,60)67-69(57,58)62-20-27-32(66-68(54,55)56)31(51)37(65-27)46-23-45-30-34(40)43-22-44-35(30)46/h11,13,22-27,31-33,37-38,47-48,51-52H,4-10,12,14-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b13-11+/t24-,25+,26+,27+,31+,32+,33-,37+,38+/m0/s1

inchikey

  • AGJNHWXQEDNTLB-UZROWNAUSA-N

is_conjugate_acid_of

mass

  • 1093.965

monoisotopicmass

  • 1093.32453

smiles

  • [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCC/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139991

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