Concept information
Preferred term
(3R، 18Z، 21Z، 24Z، 27Z، 30Z، 33Z) 3 هیدروکسی هگزاتریاکونتاهگزانوئیل CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C57H94N7O18P3S
inchi
- InChI=1S/C57H94N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-45(65)40-48(67)86-39-38-59-47(66)36-37-60-55(70)52(69)57(2,3)42-79-85(76,77)82-84(74,75)78-41-46-51(81-83(71,72)73)50(68)56(80-46)64-44-63-49-53(58)61-43-62-54(49)64/h5-6,8-9,11-12,14-15,17-18,20-21,43-46,50-52,56,65,68-69H,4,7,10,13,16,19,22-42H2,1-3H3,(H,59,66)(H,60,70)(H,74,75)(H,76,77)(H2,58,61,62)(H2,71,72,73)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t45-,46-,50-,51-,52+,56-/m1/s1
inchikey
- XWQWNHYCZCOINL-XGXBGGTPSA-N
is_conjugate_acid_of
mass
- 1290.37900
monoisotopicmass
- 1289.55889
smiles
- CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCCCCCCC[C@@H](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'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,18Z,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriaconta-18,21,24,27,30,33-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
synonym RELATED
- (3R,18Z,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontahexaenoyl-coenzyme A
- (R)-3-hydroxy-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA
- (R)-3-hydroxy-(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-coenzyme A
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:76686
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