EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57383 - linoleoyl-CoA(4−)

ChEBI IDCHEBI:57383
ChEBI Namelinoleoyl-CoA(4−)
Stars
ASCII Namelinoleoyl-CoA(4-)
DefinitionAn octadecadienoyl-CoA(4−) resulting from the deprotonation of phosphate and diphosphate functions of linoleoyl-CoA.
Last Modified25 October 2021
DownloadsMolfile
FormulaC39H62N7O17P3S
Net Charge-4
Average Mass1025.946
Monoisotopic Mass1025.31577
SMILESCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyYECLLIMZHNYFCK-RRNJGNTNSA-J
ChEBI Ontology
Outgoing Relation(s)
linoleoyl-CoA(4−) (CHEBI:57383) is a octadecadienoyl-CoA(4−) (CHEBI:139565)
linoleoyl-CoA(4−) (CHEBI:57383) is conjugate base of linoleoyl-CoA (CHEBI:15530)
Incoming Relation(s)
S-(9Z,12Z-octadecadienoyl)-4'-phosphopantetheine(2−) (CHEBI:172387) has functional parent linoleoyl-CoA(4−) (CHEBI:57383)
linoleoyl-CoA (CHEBI:15530) is conjugate acid of linoleoyl-CoA(4−) (CHEBI:57383)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-octadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
UniProt Name  Source
(9Z,12Z)-octadecadienoyl-CoAUniProt