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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > bkos#16-coa

Preferred term

bkos#16-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C37H62N7O22P3S

inchi

  • InChI=1S/C37H62N7O22P3S/c1-21-23(46)16-24(47)36(63-21)60-13-8-6-4-5-7-9-22(45)15-27(49)70-14-12-39-26(48)10-11-40-34(52)31(51)37(2,3)18-62-69(58,59)66-68(56,57)61-17-25-30(65-67(53,54)55)29(50)35(64-25)44-20-43-28-32(38)41-19-42-33(28)44/h19-21,23-25,29-31,35-36,46-47,50-51H,4-18H2,1-3H3,(H,39,48)(H,40,52)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t21-,23+,24+,25+,29+,30+,31-,35+,36+/m0/s1

inchikey

  • UEMLVZQNYBLKOV-HTVSJTJUSA-N

mass

  • 1081.911

monoisotopicmass

  • 1081.28815

smiles

  • C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139912

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