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(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA

MNXM87558 is deprecated and here replaced by MNXM739454
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM739454

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

formula

C₄₅H₆₄N₇O₁₇P₃S

charge

-4

mass

1099.33142

reference

chebi:76360

InChIKey

NVOWZIBKQIWTDG-ADUCOSNASA-J

InChI

InChI=1S/C45H68N7O17P3S/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/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(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-,25-24+/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\CC/C=C/C(=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:76360 chebi:76360	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA(4-) (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-coenzyme A(4-)
seed.compound:cpd15090 seedM:cpd15090	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl- CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
kegg.compound:C16374 keggC:C16374	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA
metacyc.compound:CPD-17386 metacycM:CPD-17386	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA
lipidmaps:LMFA07050107 lipidmapsM:LMFA07050107	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-coenzyme A 1-(2E,6Z,9Z,12Z,15Z,18Z,21Z-tetracosaheptaenoyl)-CoA 2E,6Z,9Z,12Z,15Z,18Z,21Z-tetracosaheptaenoyl-CoA CoA 24:7 CoA(24:7(2E,6Z,9Z,12Z,15Z,18Z,21Z)) THA-CoA delta2-THA-CoA tetracosaheptaenoyl-CoA
reactome:R-ALL-2066767 reactomeM:R-ALL-2066767 CHEBI:65139 chebi:65139	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-coenzyme A 1-(2E,6Z,9Z,12Z,15Z,18Z,21Z-tetracosaheptaenoyl)-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} CoA(24:7(2E,6Z,9Z,12Z,15Z,18Z,21Z)) THA-CoA delta2-THA-CoA tetracosaheptaenoyl-CoA
keggC:M_C16374 seedM:M_cpd15090	secondary/obsolete/fantasy identifier