skip to main content

Content language

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

Concept information

Preferred term

3-oxolauroyl-coa(4-)  

Type

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

charge

  • -4

formula

  • C33H52N7O18P3S

inchi

  • InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t22-,26-,27-,28+,32-/m1/s1

inchikey

  • HQANBZHVWIDNQZ-GMHMEAMDSA-J

is_conjugate_base_of

mass

  • 959.78800

monoisotopicmass

  • 959.23243

smiles

  • CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62615

Download this concept: