Concept information
Preferred term
ایتاکونیل CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
alt_id
- CHEBI:14485
- CHEBI:24934
- CHEBI:6075
charge
- 0
formula
- C26H40N7O19P3S
has_functional_parent
has_role
inchi
- InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,36-37H,1,4-10H2,2-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,18-,19-,20+,24-/m1/s1
inchikey
- NFVGYLGSSJPRKW-CITAKDKDSA-N
is_conjugate_acid_of
mass
- 879.61886
monoisotopicmass
- 879.13125
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)CC(=C)C(O)=O
subset
- 3_STAR
synonym EXACT
- 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxybut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- Itaconyl-CoA
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:15528
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