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

Concept information

Preferred term

oscr#28 CoA  

Type

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

Broader concept

charge

  • 0

formula

  • C43H76N7O21P3S

has_functional_parent

inchi

  • InChI=1S/C43H76N7O21P3S/c1-28-29(51)23-30(52)42(68-28)65-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-33(54)75-22-20-45-32(53)18-19-46-40(57)37(56)43(2,3)25-67-74(63,64)71-73(61,62)66-24-31-36(70-72(58,59)60)35(55)41(69-31)50-27-49-34-38(44)47-26-48-39(34)50/h26-31,35-37,41-42,51-52,55-56H,4-25H2,1-3H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1

inchikey

  • SPQAPMAVWBBSLB-NTLUYEGJSA-N

is_conjugate_acid_of

mass

  • 1152.087

monoisotopicmass

  • 1151.40278

smiles

  • [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC(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:140020

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