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(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA

MNXM3234 is deprecated and here replaced by MNXM1104405
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104405 Image of MNXM1104405
referencechebi:74298
formulaC43H62N7O17P3S
global charge-4
mol weight1073.99
InChIKeyMENFZXMQSYYVRK-CRCGJGBYSA-J
InChIInChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1 Image of MNXM1104405
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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][C:34](=[O:52])[S:71][CH2:27][CH2:26][N:45]=[C:33]([CH2:24][CH2:25][N:46]=[C:41]([C@@H:38]([C:43]([CH3:2])([CH3:3])[CH2:29][O:64][P:70]([OH:61])(=[O:62])[O:67][P:69]([OH:59])(=[O:60])[O:63][CH2:28][C@@H:32]1[C@@H:37]([O:66][P:68]([OH:56])([OH:57])=[O:58])[C@@H:36]([OH:53])[C@H:42]([N:50]2[CH:31]=[N:49][C:35]3=[C:39]([NH2:44])[N:47]=[CH:30][N:48]=[C:40]32)[O:65]1)[OH:54])[OH:55])[OH:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)66
in models (compartimentalized) 28
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74298
chebi:74298
MENFZXMQSYYVRK-CRCGJGBYSA-J 		(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
C22:6(omega-3)-CoA(4-)
all-cis-(omega-3)-docosahexanoyl-CoA(4-)
cervonyl CoA(4-)
cervonyl-CoA(4-)

kegg.compound:C16169
keggC:C16169
MENFZXMQSYYVRK-CRCGJGBYSA-N 		(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA

seed.compound:cpd14890
seedM:cpd14890
MENFZXMQSYYVRK-CRCGJGBYSA-J 		(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
all-cis-docosa-4,7,10,13,16,19-hexaenoyl-CoA
docosahexaenoyl-CoA

SLM:000000764
slm:000000764
MENFZXMQSYYVRK-CRCGJGBYSA-J 		(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA

reactome:R-ALL-2066765
reactomeM:R-ALL-2066765
CHEBI:65132
chebi:65132
MENFZXMQSYYVRK-CRCGJGBYSA-N 		(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A
CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DHA-CoA
cervonyl CoA
cervonyl coenzyme A
cervonyl-CoA
cervonyl-coenzyme A

lipidmaps:LMFA07050121
lipidmapsM:LMFA07050121
MENFZXMQSYYVRK-CRCGJGBYSA-N 		(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A
CoA 22:6
CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DHA-CoA

metacyc.compound:CPD-17312
metacycM:CPD-17312
MENFZXMQSYYVRK-CRCGJGBYSA-J 		(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA
all-cis-docosa-4,7,10,13,16,19-hexaenoyl-CoA
docosahexaenoyl-CoA

bigg.metabolite:c226coa
biggM:c226coa
MENFZXMQSYYVRK-CRCGJGBYSA-J 		Cervonyl coenzyme A
hmdb:HMDB0060198
MENFZXMQSYYVRK-CRCGJGBYSA-J 		Cervonyl coenzyme A
(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)-N-[2-({2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
(2S)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-[2-({2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid

vmhM:c226coa
vmhmetabolite:c226coa
MENFZXMQSYYVRK-CRCGJGBYSA-J 		cervonyl coenzyme A

vmhM:CE4827
vmhmetabolite:CE4827
MENFZXMQSYYVRK-CRCGJGBYSA-J 		docosa-4,7,10,13,16,19-all-cis-hexaenoyl-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)-N-[2-({2-[(4Z,7Z,10Z,13Z,16Z,19Z)-

hmdb:HMDB60198
biggM:M_c226coa
keggC:M_C16169
seedM:M_cpd14890
vmhM:M_CE4827
vmhM:M_c226coa 		secondary/obsolete/fantasy identifier