Concept information
Preferred term
(2E,11Z,14Z,17Z,20Z,23Z) hexacosahexaenoyl CoA(4)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -4
formula
- C47H70N7O17P3S
inchi
- InChI=1S/C47H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,26-27,34-36,40-42,46,57-58H,4,7,10,13,16,19-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,27-26+/t36-,40-,41-,42+,46-/m1/s1
inchikey
- SGFMOELYADHXRG-PUSKVLHNSA-J
is_conjugate_base_of
mass
- 1130.08200
monoisotopicmass
- 1129.37837
smiles
- CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCC/C=C/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'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,11Z,14Z,17Z,20Z,23Z)-hexacosa-2,11,14,17,20,23-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
synonym RELATED
- (2E,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA
- (2E,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-coenzyme A(4-)
- 2trans,11cis,14cis,17cis,20cis,23cis-hexacosahexaenoyl-CoA(4-)
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:76467
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