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(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA

PropertiesImage
MNX_IDMNXM1106061 Image of MNXM1106061
referencechebi:76368
formulaC43H64N7O17P3S
global charge-4
mol weight1076.006
InChIKeyQKBTYZDPVNTERQ-UWVCYPHHSA-J
InChIInChI=1S/C43H68N7O17P3S/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/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,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/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1
SMILESCCCCC/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/C43H68N7O17P3S/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/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,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)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1 Image of MNXM1106061
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][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)30
in models (compartimentalized) 22
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76368
chebi:76368
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-)
C22:5(n-6)-CoA(4-)

kegg.compound:C16173
keggC:C16173
QKBTYZDPVNTERQ-UWVCYPHHSA-N 		(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA

seed.compound:cpd14894
seedM:cpd14894
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl-Coa
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA

SLM:000000874
slm:000000874
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA

metacyc.compound:CPD-17365
metacycM:CPD-17365
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl-Coa

CHEBI:76450
chebi:76450
QKBTYZDPVNTERQ-UWVCYPHHSA-N 		(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Docosa-4,7,10,13,16-pentaenoyl coenzyme A
hmdb:HMDB0062234
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		4Z,7Z,10Z,13Z,16Z-docosapentaenoyl-CoA
(2R)-4-({[({[(2R,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)-docosa-4,7,10,13,16-pentaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
(2R)-4-[({[(2R,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)-docosa-4,7,10,13,16-pentaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid

lipidmaps:LMFA07050043
lipidmapsM:LMFA07050043
QKBTYZDPVNTERQ-UWVCYPHHSA-N 		CoA(22:5(4Z,7Z,10Z,13Z,16Z))
4Z,7Z,10Z,13Z,16Z-docosapentaenoyl-CoA
CoA 22:5
hmdb:HMDB0006513
QKBTYZDPVNTERQ-UWVCYPHHSA-N 		Docosa-4,7,10,13,16-pentaenoyl CoA
(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA
(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-coenzyme A
4,7,10,13,16-Docosapentaenoyl coenzyme A
CoA(22:5(4Z,7Z,10Z,13Z,16Z))
Docosa-4,7,10,13,16-pentaenoyl coenzyme A
Docosa-4,7,10,13,16-pentaenoyl-CoA
Docosa-4,7,10,13,16-pentaenoyl-coenzyme A
Osbondoyl-CoA
Osbondoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[({[(3R)-3-{[2-({2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

bigg.metabolite:dcsptn1coa
biggM:dcsptn1coa
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		Docosa-4,7,10,13,16-pentaenoyl coenzyme A

vmhM:dcsptn1coa
vmhmetabolite:dcsptn1coa
QKBTYZDPVNTERQ-UWVCYPHHSA-J 		docosa-4,7,10,13,16-pentaenoyl coenzyme A
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpr

hmdb:HMDB06513
hmdb:HMDB62234
biggM:M_dcsptn1coa
keggC:M_C16173
seedM:M_cpd14894
vmhM:M_dcsptn1coa 		secondary/obsolete/fantasy identifier