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(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA

MNXM1513 is deprecated and here replaced by MNXM1104016
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104016 Image of MNXM1104016
referencechebi:74083
formulaC45H68N7O17P3S
global charge-4
mol weight1104.06
InChIKeyBNAMTMVBOVNNSH-AFQBPCMKSA-J
InChIInChI=1S/C45H72N7O17P3S/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/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(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-/t34-,38-,39-,40+,44-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=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/C45H72N7O17P3S/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/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1 Image of MNXM1104016
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH: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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][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)20
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74083
chebi:74083
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA(4-)
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}

seed.compound:cpd14888
seedM:cpd14888
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA
(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl-CoA
(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
tetracosapentaenoyl-CoA

kegg.compound:C16167
keggC:C16167
BNAMTMVBOVNNSH-AFQBPCMKSA-N 		(9Z,12Z,15Z,18Z,21Z)-Tetracosapentaenoyl-CoA

SLM:000389166
slm:000389166
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA

metacyc.compound:CPD-17331
metacycM:CPD-17331
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl-CoA
all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
tetracosapentaenoyl-CoA

reactome:R-ALL-2046065
reactomeM:R-ALL-2046065
CHEBI:63543
chebi:63543
BNAMTMVBOVNNSH-AFQBPCMKSA-N 		(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
24:5(n-3)
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl-CoA
CoA(24:5(9Z,12Z,15Z,18Z,21Z))
all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
tetracosapentaenoyl-CoA

lipidmaps:LMFA07050141
lipidmapsM:LMFA07050141
BNAMTMVBOVNNSH-AFQBPCMKSA-N 		(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
24:5(n-3)
9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl-CoA
CoA 24:5
CoA(24:5(9Z,12Z,15Z,18Z,21Z))
all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
tetracosapentaenoyl-CoA

bigg.metabolite:CE4824
biggM:CE4824
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		Tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA

bigg.metabolite:tetpent3coa
biggM:tetpent3coa
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		Tetracosapentaenoyl coenzyme A, n-3

vmhM:CE4824
vmhmetabolite:CE4824
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA
(2S)-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-[(

vmhM:tetpent3coa
vmhmetabolite:tetpent3coa
BNAMTMVBOVNNSH-AFQBPCMKSA-J 		tetracosapentaenoyl coenzyme A, n-3

biggM:M_CE4824
biggM:M_tetpent3coa
keggC:M_C16167
seedM:M_cpd14888
vmhM:M_CE4824
vmhM:M_tetpent3coa 		secondary/obsolete/fantasy identifier