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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#32-coa

Preferred term

bkos#32-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C45H78N7O22P3S

inchi

  • InChI=1S/C45H78N7O22P3S/c1-29-31(54)24-32(55)44(71-29)68-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-30(53)23-35(57)78-22-20-47-34(56)18-19-48-42(60)39(59)45(2,3)26-70-77(66,67)74-76(64,65)69-25-33-38(73-75(61,62)63)37(58)43(72-33)52-28-51-36-40(46)49-27-50-41(36)52/h27-29,31-33,37-39,43-44,54-55,58-59H,4-26H2,1-3H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t29-,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1

inchikey

  • APBHWNXEAUZPBJ-YCHRLHCWSA-N

mass

  • 1194.124

monoisotopicmass

  • 1193.41335

smiles

  • C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=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:139946

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