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Concept information

Preferred term

henicosanoyl-coa(4-)  

Type

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

charge

  • -4

formula

  • C42H72N7O17P3S

inchi

  • InChI=1S/C42H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(51)70-26-25-44-32(50)23-24-45-40(54)37(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-31-36(65-67(55,56)57)35(52)41(64-31)49-30-48-34-38(43)46-29-47-39(34)49/h29-31,35-37,41,52-53H,4-28H2,1-3H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/p-4/t31-,35-,36-,37+,41-/m1/s1

inchikey

  • XMBMBMSJLOFTBI-VPRYAHRDSA-J

mass

  • 1072.050

monoisotopicmass

  • 1071.39402

smiles

  • [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCCCCCCCCCCCCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232575

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