Concept information
Preferred term
11 oxo ETE CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C41H64N7O18P3S
has_functional_parent
has_role
inchi
- InChI=1S/C41H64N7O18P3S/c1-4-5-6-7-9-12-15-18-29(49)19-16-13-10-8-11-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-13,15-16,18,27-28,30,34-36,40,52-53H,4-7,10,14,17,19-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b11-8-,12-9-,16-13-,18-15+/t30-,34-,35-,36+,40-/m1/s1
inchikey
- APIODADESVKQOL-UHFFRIHTSA-N
is_conjugate_acid_of
mass
- 1067.972
monoisotopicmass
- 1067.32414
smiles
- [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC/C=C/C/C=C/CC(/C=C/C=C/CCCCC)=O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
subset
- 3_STAR
synonym EXACT
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(5Z,8Z,12E,14Z)-11-oxoicosa-5,8,12,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
synonym RELATED
- 11-keto-ETE-CoA
- (5Z,8Z,12E,14Z)-11-oxoicosatetraenoyl-CoA
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:137445
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