Concept information
Preferred term
4 ایزوپروپنیل 2 اکسو سیکلوهگزان 1 کربونیل CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C31H48N7O18P3S
has_functional_parent
has_role
inchi
- InChI=1S/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25+,29-/m1/s1
inchikey
- RTPWRCREAVUAOI-KSYPWXJLSA-N
mass
- 931.73648
monoisotopicmass
- 931.19894
smiles
- CC(=C)C1CCC(C(=O)C1)C(=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'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[2-oxo-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
synonym RELATED
- 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA
- 4-isopropenyl-2-oxocyclohexane-1-carbonyl-coenzyme A
- 4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA
- 4-isopropenyl-2-oxy-cyclohexanecarboxyl-coenzyme A
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:29489
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