Concept information
Preferred term
پنتادکانوئیل CoA (4)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -4
formula
- C36H60N7O17P3S
inchi
- InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t25-,29-,30-,31+,35-/m1/s1
inchikey
- VLBCUOVMSMAIJC-VTINEICCSA-J
is_conjugate_base_of
mass
- 987.88500
monoisotopicmass
- 987.30012
smiles
- CCCCCCCCCCCCCCC(=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-(pentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
synonym RELATED
- pentadecanoyl-CoA
- pentadecanoyl-coenzyme A(4-)
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:74309
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