Concept information
Preferred term
(2E,12Z,15Z,18Z,21Z,24Z,27Z) triacontaheptaenoyl CoA
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C51H80N7O17P3S
inchi
- InChI=1S/C51H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42(60)79-35-34-53-41(59)32-33-54-49(63)46(62)51(2,3)37-72-78(69,70)75-77(67,68)71-36-40-45(74-76(64,65)66)44(61)50(73-40)58-39-57-43-47(52)55-38-56-48(43)58/h5-6,8-9,11-12,14-15,17-18,20-21,30-31,38-40,44-46,50,61-62H,4,7,10,13,16,19,22-29,32-37H2,1-3H3,(H,53,59)(H,54,63)(H,67,68)(H,69,70)(H2,52,55,56)(H2,64,65,66)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,31-30+/t40-,44-,45-,46+,50-/m1/s1
inchikey
- NCGGYQPDQZXXHV-HFIYAFHYSA-N
is_conjugate_acid_of
mass
- 1188.20400
monoisotopicmass
- 1187.45443
smiles
- CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCC/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'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,12Z,15Z,18Z,21Z,24Z,27Z)-triaconta-2,12,15,18,21,24,27-heptaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
synonym RELATED
- (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-coenzyme A
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:76680
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