trans-9-octadecenoyl-CoA

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-octadec-9-enethioate

Also Known As: oleoyl-CoA|Oleoyl coenzyme A|elaidoyl-CoA|trans-9-octadecenoyl-CoA|Oleyl-CoA|Oleoyl-coenzyme A|elaidoyl-coenzyme A|(9E)-octadecenoyl CoA|(9E)-octadecenoyl-coenzyme|trans-9-octadecenoyl-coenzyme A|ELAIDOYL COENZYME A (C18:1) FREE*ACID AP PROX. 90|S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-octadec-9-enethioate|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9E)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|3VV|9-Octadecenoyl-CoA; 9-Octadecenoyl-coenzyme A; Coenzyme A cis-9-octadecenoate; Coenzyme A oleate; Oleoyl coenzyme A; Oleyl coenzyme A; Oleyl-CoA; cis-9-Octadecenoyl-CoA|S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-octadec-9-enethioate|S-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3lambda~5~,5lambda~5~-Diphosphaheptadecan-17-Yl} (9z)-Octadec-9-Enethioate (Non-Preferred Name)

Molecular Formula	C39H68N7O17P3S
Molecular Weight	1031.3605 g/mol
LogP	4.7022
Topological Polar Surface Area	363.63 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	18
Rotatable Bonds	34
Exact Mass	1031.3605
Monoisotopic Mass	1031.3605
Heavy Atoms	67
Complexity	2043.3339

Chemical Identifiers

CAS Number	4752-14-1
SMILES	CCCCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O