Concept information
Preferred term
trans 3 cis 5 octadienoyl CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C29H46N7O17P3S
inchi
- InChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h5-8,16-18,22-24,28,39-40H,4,9-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b6-5-,8-7+/t18-,22-,23-,24+,28-/m1/s1
inchikey
- XMHCCMXYCWOYHF-GRQFGQEHSA-N
is_conjugate_acid_of
mass
- 889.69900
monoisotopicmass
- 889.18838
smiles
- CC/C=C/C=C/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-oxo-4-({3-[(2-{[(3E,5Z)-octa-3,5-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
synonym RELATED
- (3E,5Z)-octadienoyl-CoA
- (3E,5Z)-octadienoyl-coenzyme A
- trans-3-cis-5-octadienoyl-coenzyme A
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:85557
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