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Concept information

Preferred term

(3r)-3-carboxy-3-hydroxypropanoyl-coa(5-)  

Type

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

charge

  • -5

formula

  • C25H35N7O20P3S

inchi

  • InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/p-5/t12-,13-,17-,18-,19+,23-/m1/s1

inchikey

  • HJQWLHMLMCDAEL-UEOCDHLLSA-I

mass

  • 878.56900

monoisotopicmass

  • 878.08979

smiles

  • CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-carboxylato-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77427

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