CHEBI:73857 - (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4−)

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ChEBI Name (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4−)
ChEBI ID CHEBI:73857
ChEBI ASCII Name (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
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Formula C45H68N7O18P3S
Net Charge -4
Average Mass 1120.04400
Monoisotopic Mass 1119.35763
InChI InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
InChIKey WSALICWLARPULC-GJYKHRJNSA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=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
ChEBI Ontology
Outgoing (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:73857) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:73857) is conjugate base of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA (CHEBI:73874)
Incoming (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA (CHEBI:73874) is conjugate acid of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:73857)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA UniProt
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-coenzyme A(4−) ChEBI
Last Modified
28 June 2013