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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

oscr#23 CoA  

Type

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

Broader concept

charge

  • 0

formula

  • C41H70N7O21P3S

has_functional_parent

inchi

  • InChI=1S/C41H70N7O21P3S/c1-26-27(49)21-28(50)40(66-26)63-19-14-12-10-8-6-4-5-7-9-11-13-15-31(52)73-20-18-43-30(51)16-17-44-38(55)35(54)41(2,3)23-65-72(61,62)69-71(59,60)64-22-29-34(68-70(56,57)58)33(53)39(67-29)48-25-47-32-36(42)45-24-46-37(32)48/h13,15,24-29,33-35,39-40,49-50,53-54H,4-12,14,16-23H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/b15-13+/t26-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1

inchikey

  • PAKGTMACELCLNY-RWZDZKQQSA-N

is_conjugate_acid_of

mass

  • 1122.018

monoisotopicmass

  • 1121.35583

smiles

  • [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140005

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