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Concept information

Preferred term

24-methylpentacosanoyl-coa(4-)  

Type

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

charge

  • -4

formula

  • C47H82N7O17P3S

inchi

  • InChI=1S/C47H86N7O17P3S/c1-35(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-38(56)75-30-29-49-37(55)27-28-50-45(59)42(58)47(3,4)32-68-74(65,66)71-73(63,64)67-31-36-41(70-72(60,61)62)40(57)46(69-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,57-58H,5-32H2,1-4H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/t36-,40-,41-,42+,46-/m1/s1

inchikey

  • JGTNQIKTVBXPHL-CPIGOPAHSA-J

mass

  • 1142.190

monoisotopicmass

  • 1141.47227

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)CCCCCCCCCCCCCCCCCCCCCCC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232002

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