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Chemistry, part 3

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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 > ascr#12-coa(4-)

Preferred term

ascr#12-coa(4-)  

Type

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

Broader concept

charge

  • -3

formula

  • C33H53N7O21P3S

inchi

  • InChI=1S/C33H56N7O21P3S/c1-17(57-32-20(42)12-19(41)18(2)58-32)6-5-7-23(44)65-11-10-35-22(43)8-9-36-30(47)27(46)33(3,4)14-56-64(53,54)61-63(51,52)55-13-21-26(60-62(48,49)50)25(45)31(59-21)40-16-39-24-28(34)37-15-38-29(24)40/h15-21,25-27,31-32,41-42,45-46H,5-14H2,1-4H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-3/t17-,18+,19-,20-,21-,25-,26-,27+,31-,32-/m1/s1

inchikey

  • FOLUBALGOGRIEZ-VEFQNNLJSA-K

mass

  • 1008.797

monoisotopicmass

  • 1008.22445

smiles

  • C[C@H](CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139623

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