CHEBI:57383 - linoleoyl-CoA(4−)

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ChEBI Name linoleoyl-CoA(4−)
ChEBI ID CHEBI:57383
ChEBI ASCII Name linoleoyl-CoA(4-)
Definition An octadecadienoyl-CoA(4−) resulting from the deprotonation of phosphate and diphosphate functions of linoleoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H62N7O17P3S
Net Charge -4
Average Mass 1025.93300
Monoisotopic Mass 1025.31577
InChI InChI=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
InChIKey YECLLIMZHNYFCK-RRNJGNTNSA-J
SMILES CCCCC\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
ChEBI Ontology
Outgoing 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 S-(9Z,12Z-octadecadienoyl)-4ʼ-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}
Synonym Source
(9Z,12Z)-octadecadienoyl-CoA UniProt
Last Modified
25 October 2021