Concept information
Preferred term
(11Z,14Z,17Z,20Z,23Z) 3 oxohexacosapentaenoyl CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
charge
- 0
formula
- C47H74N7O18P3S
inchi
- InChI=1S/C47H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,33-34,36,40-42,46,58-59H,4,7,10,13,16,19-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/b6-5-,9-8-,12-11-,15-14-,18-17-/t36-,40-,41-,42+,46-/m1/s1
inchikey
- QKZQPYCWWGFPSM-NXZKYKDTSA-N
is_conjugate_acid_of
mass
- 1150.11300
monoisotopicmass
- 1149.40239
smiles
- CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCC(=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-2,2-dimethyl-4-({3-[(2-{[(11Z,14Z,17Z,20Z,23Z)-3-oxohexacosa-11,14,17,20,23-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
synonym RELATED
- (11Z,14Z,17Z,20Z,23Z)-3-ketohexacosapentaenoyl-CoA
- 3-oxo-C26:5(omega-3)-CoA
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:74972
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