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(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104667

	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	27

formula

C₄₅H₆₆N₇O₁₇P₃S

charge

-4

mass

1101.34707

reference

chebi:74086

InChIKey

KRIFZIRXAAITHR-KWFBMMABSA-J

InChI

InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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:74086 chebi:74086	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4-) (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
kegg.compound:C16168 keggC:C16168	(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
seed.compound:cpd14889 seedM:cpd14889	(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA all-cis6,-9,12,15,18,21-tetracosahexaenoyl-CoA tetracosahexaenoyl-CoA
SLM:000389167 slm:000389167	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
metacyc.compound:CPD-17385 metacycM:CPD-17385	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA all-cis6,-9,12,15,18,21-tetracosahexaenoyl-CoA tetracosahexaenoyl-CoA
reactome:R-ALL-2046047 reactomeM:R-ALL-2046047 reactome:R-ALL-2046054 reactomeM:R-ALL-2046054 CHEBI:63540 chebi:63540	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA 24:6(n-3) 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} 6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoyl-CoA 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl-CoA CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z)) all-cis-6,9,12,15,18,21-tetracosahexaenoyl-CoA tetracosahexaenoyl-CoA
lipidmaps:LMFA07050127 lipidmapsM:LMFA07050127	(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA 24:6(n-3) 6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoyl-CoA 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl-CoA CoA 24:6 CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z)) all-cis-6,9,12,15,18,21-tetracosahexaenoyl-CoA tetracosahexaenoyl-CoA
bigg.metabolite:tethex3coa biggM:tethex3coa	Tetracosahexaenoyl coenzyme A
biggM:M_tethex3coa keggC:M_C16168 seedM:M_cpd14889	secondary/obsolete/fantasy identifier