CHEBI:74246 - (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−)
ChEBI ID CHEBI:74246
ChEBI ASCII Name (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C51H78N7O18P3S
Net Charge -4
Average Mass 1202.18700
Monoisotopic Mass 1201.43589
InChI InChI=1S/C51H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h5-6,8-9,11-12,14-15,17-18,37-38,40,44-46,50,62-63H,4,7,10,13,16,19-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t40-,44-,45-,46+,50-/m1/s1
InChIKey JPTNEMJACWNTHI-PWNBCAMESA-J
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=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 (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−) (CHEBI:74246) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−) (CHEBI:74246) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−) (CHEBI:74246) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−) (CHEBI:74246) is conjugate base of (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA (CHEBI:74399)
Incoming (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA (CHEBI:74399) is conjugate acid of (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4−) (CHEBI:74246)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z,18Z,21Z,24Z,27Z)-3-oxotriaconta-15,18,21,24,27-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(15Z,18Z,21Z,24Z,27Z)-3-ketotriacontapentaenoyl-CoA(4−) ChEBI
(15Z,18Z,21Z,24Z,27Z)-3-ketotriacontapentaenoyl-coenzyme A(4−) ChEBI
(15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-coenzyme A(4−) ChEBI
3-keto-C30:5(ω-3)-CoA(4−) SUBMITTER
3-oxo-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA UniProt
3-oxo-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−) SUBMITTER
3-oxo-15cis,18cis,21cis,24cis,27cis-triacontapentaenoyl-CoA(4−) SUBMITTER
3-oxo-C30:5(ω-3)-CoA(4−) ChEBI
3-oxotriacontapentanoyl-CoA(4−) (ω-3) SUBMITTER
Last Modified
04 April 2019