Concept information
Preferred term
(3R، 12Z، 15Z، 18Z، 21Z، 24Z، 27Z) 3 هیدروکسیتریاکونتاهگزانویل CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C51H82N7O18P3S
inchi
- InChI=1S/C51H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h5-6,8-9,11-12,14-15,17-18,20-21,37-40,44-46,50,59,62-63H,4,7,10,13,16,19,22-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t39-,40-,44-,45-,46+,50-/m1/s1
inchikey
- LWQPMSHNJXBNDV-JAGNYNQQSA-N
is_conjugate_acid_of
mass
- 1206.21900
monoisotopicmass
- 1205.46499
smiles
- CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCC[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,12Z,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriaconta-12,15,18,21,24,27-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
synonym RELATED
- (3R,12Z,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontahexaenoyl-coenzyme A
- (R)-3-hydroxy-(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA
- (R)-3-hydroxy-(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-coenzyme A
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:76679
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