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

MNXM6510 is deprecated and here replaced by MNXM1103767
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103767 Image of MNXM1103767
referencechebi:76364
formulaC45H66N7O17P3S
global charge-4
mol weight1102.044
InChIKeyUYOKHWFEUAJFMG-UIYHDVLFSA-J
InChIInChI=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/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,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/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40+,44-/m1/s1
SMILESCCCCC/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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,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)/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40+,44-/m1/s1 Image of MNXM1103767
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23]/[CH:24]=[CH:25]/[C:36](=[O:54])[S:73][CH2:29][CH2:28][N:47]=[C:35]([CH2:26][CH2:27][N:48]=[C:43]([C@@H:40]([C:45]([CH3:2])([CH3:3])[CH2:31][O:66][P:72]([OH:63])(=[O:64])[O:69][P:71]([OH:61])(=[O:62])[O:65][CH2:30][C@@H:34]1[C@@H:39]([O:68][P:70]([OH:58])([OH:59])=[O:60])[C@@H:38]([OH:55])[C@H:44]([N:52]2[CH:33]=[N:51][C:37]3=[C:41]([NH2:46])[N:49]=[CH:32][N:50]=[C:42]32)[O:67]1)[OH:56])[OH:57])[OH:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76364
chebi:76364
UYOKHWFEUAJFMG-UIYHDVLFSA-J 		(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4-)
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-coenzyme A(4-)
hmdb:HMDB0060308
UYOKHWFEUAJFMG-UIYHDVLFSA-N 		(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosa-2,6,9,12,15,18-hexaenoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexaenoyl-coenzyme A
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid

seed.compound:cpd15093
seedM:cpd15093
UYOKHWFEUAJFMG-UIYHDVLFSA-J 		(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA

kegg.compound:C16387
keggC:C16387
UYOKHWFEUAJFMG-UIYHDVLFSA-N 		(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexaenoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosa-2,6,9,12,15,18-hexaenoyl-CoA

metacyc.compound:CPD-18492
metacycM:CPD-18492
UYOKHWFEUAJFMG-UIYHDVLFSA-J 		(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoyl-CoA

CHEBI:76447
chebi:76447
UYOKHWFEUAJFMG-UIYHDVLFSA-N 		(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

bigg.metabolite:CE4838
biggM:CE4838
UYOKHWFEUAJFMG-UIYHDVLFSA-J 		Trans-2-All-Cis-6,9,12,15,18-Tetracosahexaenoyl Coenzyme A
hmdb:HMDB0060219
UYOKHWFEUAJFMG-UIYHDVLFSA-J 		trans-2-all-cis-6,9,12,15,18-Tetracosahexaenoyl-CoA
(2R)-4-({[({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-[({[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid

vmhM:CE4838
vmhmetabolite:CE4838
UYOKHWFEUAJFMG-UIYHDVLFSA-J 		trans-2-all-cis-6,9,12,15,18-tetracosahexaenoyl-CoA

hmdb:HMDB60219
hmdb:HMDB60308
biggM:M_CE4838
keggC:M_C16387
seedM:M_cpd15093
vmhM:M_CE4838 		secondary/obsolete/fantasy identifier