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(13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145939

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₄₉H₇₆N₇O₁₈P₃S

charge

-4

mass

1175.42023

reference

chebi:74283

InChIKey

IZDHERUQVKFIRY-OIWJCRNUSA-J

InChI

InChI=1S/C49H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h8-9,11-12,14-15,17-18,35-36,38,42-44,48,60-61H,4-7,10,13,16,19-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/p-4/b9-8-,12-11-,15-14-,18-17-/t38-,42-,43-,44+,48-/m1/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74283 chebi:74283	(13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA (13Z,16Z,19Z,22Z)-3-ketooctacosatetraenoyl-CoA(4-) (13Z,16Z,19Z,22Z)-3-ketooctacosatetraenoyl-coenzyme A(4-) (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA(4-) (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(13Z,16Z,19Z,22Z)-3-oxooctacosa-13,16,19,22-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} 3-oxo-C28:4(omega-6)-CoA(4-)
CHEBI:74485 chebi:74485	(13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA (13Z,16Z,19Z,22Z)-3-ketooctacosatetraenoyl-CoA (13Z,16Z,19Z,22Z)-3-ketooctacosatetraenoyl-coenzyme A (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(13Z,16Z,19Z,22Z)-3-oxooctacosa-13,16,19,22-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-oxo-C28:4(omega-6)-CoA
SLM:000000752 slm:000000752	3-oxo-(13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA