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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 > bhas#38-coa

Preferred term

bhas#38-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C48H86N7O22P3S

inchi

  • InChI=1S/C48H86N7O22P3S/c1-31(73-47-35(58)26-34(57)32(2)74-47)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-33(56)25-38(60)81-24-23-50-37(59)21-22-51-45(63)42(62)48(3,4)28-72-80(69,70)77-79(67,68)71-27-36-41(76-78(64,65)66)40(61)46(75-36)55-30-54-39-43(49)52-29-53-44(39)55/h29-36,40-42,46-47,56-58,61-62H,5-28H2,1-4H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t31-,32+,33-,34-,35-,36-,40-,41-,42+,46-,47-/m1/s1

inchikey

  • KHCHEDULCUNUSD-RFKNJEBASA-N

mass

  • 1238.219

monoisotopicmass

  • 1237.47595

smiles

  • C[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(=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:139766

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