CHEBI:63543 - (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA

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ChEBI Name (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
ChEBI ID CHEBI:63543
ChEBI ASCII Name (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoic acid. It is a member of the n-3 PUFA and is the product of α-linolenic acid metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Phani Vijay Garapati
Supplier Information
Download Molfile XML SDF
Formula C45H72N7O17P3S
Net Charge 0
Average Mass 1108.07600
Monoisotopic Mass 1107.39183
InChI InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
InChIKey BNAMTMVBOVNNSH-AFQBPCMKSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA (CHEBI:63543) has functional parent (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoic acid (CHEBI:77360)
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA (CHEBI:63543) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA (CHEBI:63543) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA (CHEBI:63543) is conjugate acid of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA(4−) (CHEBI:74083)
Incoming (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA(4−) (CHEBI:74083) is conjugate base of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA (CHEBI:63543)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Synonyms Sources
24:5(n-3) SUBMITTER
9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl-CoA LIPID MAPS
all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA ChEBI
CoA(24:5(9Z,12Z,15Z,18Z,21Z)) LIPID MAPS
tetracosapentaenoyl-CoA SUBMITTER
Manual Xref Database
LMFA07050049 LIPID MAPS
View more database links
Last Modified
18 February 2014