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

Concept information

Preferred term

oscr#37 CoA  

Type

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

Broader concept

charge

  • 0

formula

  • C48H84N7O21P3S

has_functional_parent

inchi

  • InChI=1S/C48H84N7O21P3S/c1-33-34(56)28-35(57)47(73-33)70-26-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-38(59)80-27-25-50-37(58)23-24-51-45(62)42(61)48(2,3)30-72-79(68,69)76-78(66,67)71-29-36-41(75-77(63,64)65)40(60)46(74-36)55-32-54-39-43(49)52-31-53-44(39)55/h20,22,31-36,40-42,46-47,56-57,60-61H,4-19,21,23-30H2,1-3H3,(H,50,58)(H,51,62)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b22-20+/t33-,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1

inchikey

  • JKBOXTKVZYBYDR-AYXSMRJJSA-N

is_conjugate_acid_of

mass

  • 1220.204

monoisotopicmass

  • 1219.46538

smiles

  • [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCC/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:140048

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