CHEBI:73852 - (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−)

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ChEBI Name (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−)
ChEBI ID CHEBI:73852
ChEBI ASCII Name (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C43H64N7O18P3S
Net Charge -4
Average Mass 1091.99100
Monoisotopic Mass 1091.32633
InChI InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1
InChIKey VMAJWSSWCPBIJY-KPOVBLHLSA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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 (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is conjugate base of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821)
Incoming (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) is conjugate acid of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z)-3-oxodocosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA UniProt
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-coenzyme A ChEBI
3-oxodocosatetraenoyl-CoA SUBMITTER
Last Modified
27 July 2021