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3-oxo-(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA

MNXM97401 is deprecated and replaced by MNXM730960
PropertiesImage
MNX_IDMNXM730960 Image of MNXM730960
referencechebi:73863
formulaC43H62N7O18P3S
global charge-4
mol weight1089.989
InChIKeySLYKKQSPRFJDAF-HVGANWHPSA-J
InChIInChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CC(=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/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1 Image of MNXM730960
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][C:31]([CH2:26][C:34](=[O:53])[S:72][CH2:25][CH2:24][N:45]=[C:33]([CH2:22][CH2:23][N:46]=[C:41]([C@@H:38]([C:43]([CH3:2])([CH3:3])[CH2:28][O:65][P:71]([OH:62])(=[O:63])[O:68][P:70]([OH:60])(=[O:61])[O:64][CH2:27][C@@H:32]1[C@@H:37]([O:67][P:69]([OH:57])([OH:58])=[O:59])[C@@H:36]([OH:54])[C@H:42]([N:50]2[CH:30]=[N:49][C:35]3=[C:39]([NH2:44])[N:47]=[CH:29][N:48]=[C:40]32)[O:66]1)[OH:55])[OH:56])[OH:52])=[O:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73863
chebi:73863
SLYKKQSPRFJDAF-HVGANWHPSA-J 		3-oxo-(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA
(7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA(4-)
(7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z,19Z)-3-oxodocosa-7,10,13,16,19-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-CoA(4-)
all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-coenzyme A(4-)

metacyc.compound:CPD-14423
metacycM:CPD-14423
SLYKKQSPRFJDAF-HVGANWHPSA-J 		(5Z,8Z,11Z,14Z,17Z)-3-oxodocosapentaenoyl-CoA
(5Z,8Z,11Z,14Z,17Z)-3-oxodocosa-5,8,11,14,17-pentaenoyl-CoA
3-oxodocosapentaenoyl-CoA

lipidmaps:LMFA07050130
lipidmapsM:LMFA07050130
SLYKKQSPRFJDAF-HVGANWHPSA-N 		(7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA
(7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-coenzyme A
7Z,10Z,13Z,16Z,19Z-3-oxodocosapentaenoyl-CoA
CoA 22:6
O
all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-CoA
all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-coenzyme A

CHEBI:73887
chebi:73887
SLYKKQSPRFJDAF-HVGANWHPSA-N 		(7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA
(7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-coenzyme A
all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-CoA
all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-coenzyme A

SLM:000000733
slm:000000733
SLYKKQSPRFJDAF-HVGANWHPSA-J 		3-oxo-(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA

bigg.metabolite:CE4819
biggM:CE4819
vmhM:CE4819
vmhmetabolite:CE4819
SLYKKQSPRFJDAF-HVGANWHPSA-J 		3-oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA

seed.compound:cpd28753
seedM:cpd28753
SLYKKQSPRFJDAF-HVGANWHPSA-J 		3-oxo-docosapentaenoyl-CoA
(5Z,8Z,11Z,14Z,17Z)-3-oxodocosa-5,8,11,14,17-pentaenoyl-CoA
(5Z,8Z,11Z,14Z,17Z)-3-oxodocosapentaenoyl-CoA
3-oxodocosapentaenoyl-CoA
hmdb:HMDB0304149
SLYKKQSPRFJDAF-HVGANWHPSA-J 		3-oxo-docosapentaenoyl-CoA
3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxodocosa-7,10,13,16,19-pentaenoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propyl ({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxodocosa-7,10,13,16,19-pentaenoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propyl {[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxyphosphonate

biggM:M_CE4819
seedM:M_cpd28753
vmhM:M_CE4819 		secondary/obsolete/fantasy identifier