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(11Z)-eicosenoyl-CoA

MNXM11852 is deprecated and here replaced by MNXM1103876
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103876 Image of MNXM1103876
referencechebi:74069
formulaC41H68N7O17P3S
global charge-4
mol weight1056.016
InChIKeyZDRKXADSROCWCG-FVLDFCIYSA-J
InChIInChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b12-11-/t30-,34-,35-,36+,40-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=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/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-/t30-,34-,35-,36+,40-/m1/s1 Image of MNXM1103876
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:32](=[O:50])[S:69][CH2:25][CH2:24][N:43]=[C:31]([CH2:22][CH2:23][N:44]=[C:39]([C@@H:36]([C:41]([CH3:2])([CH3:3])[CH2:27][O:62][P:68]([OH:59])(=[O:60])[O:65][P:67]([OH:57])(=[O:58])[O:61][CH2:26][C@@H:30]1[C@@H:35]([O:64][P:66]([OH:54])([OH:55])=[O:56])[C@@H:34]([OH:51])[C@H:40]([N:48]2[CH:29]=[N:47][C:33]3=[C:37]([NH2:42])[N:45]=[CH:28][N:46]=[C:38]32)[O:63]1)[OH:52])[OH:53])[OH:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 17
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74069
chebi:74069
ZDRKXADSROCWCG-FVLDFCIYSA-J 		(11Z)-eicosenoyl-CoA
(11Z)-eicosenoyl-CoA(4-)
(11Z)-eicosenoyl-coenzyme A(4-)
(11Z)-icosenoyl-CoA(4-)
(11Z)-icosenoyl-coenzyme A(4-)
11cis-eicosenoyl-CoA(4-)
11cis-icosenoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-icos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
C20:1(n-9)-CoA(4-)

seed.compound:cpd24275
seedM:cpd24275
ZDRKXADSROCWCG-FVLDFCIYSA-J 		(11Z)-eicos-11-enoyl-CoA
20:1 cis-11
20:1(n-11)

SLM:000000591
slm:000000591
ZDRKXADSROCWCG-FVLDFCIYSA-J 		(11Z)-eicosenoyl-CoA

CHEBI:74126
chebi:74126
ZDRKXADSROCWCG-FVLDFCIYSA-N 		(11Z)-eicosenoyl-CoA
(11Z)-Eicosenoyl-CoA
(11Z)-Icosenoyl-CoA
(11Z)-eicos-11-enoyl-CoA
(11Z)-eicosenoyl-coenzyme A
(11Z)-icosenoyl-CoA
(11Z)-icosenoyl-coenzyme A
11cis-eicosenoyl-CoA
11cis-eicosenoyl-coenzyme A
11cis-icosenoyl-CoA
11cis-icosenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-icos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
CoA(20:1(11Z))
Eicosenoyl-CoA
Icosenoyl-CoA

lipidmaps:LMFA07050093
lipidmapsM:LMFA07050093
ZDRKXADSROCWCG-FVLDFCIYSA-N 		(11Z)-eicosenoyl-CoA
(11Z)-eicos-11-enoyl-CoA
(11Z)-eicosenoyl-coenzyme A
(11Z)-icosenoyl-CoA
(11Z)-icosenoyl-coenzyme A
11Z-eicosenoyl-CoA
11cis-eicosenoyl-CoA
11cis-eicosenoyl-coenzyme A
11cis-icosenoyl-CoA
11cis-icosenoyl-coenzyme A
CoA 20:1
CoA(20:1(11Z))
Eicosenoyl-CoA
Icosenoyl-CoA

metacyc.compound:CPD-15363
metacycM:CPD-15363
ZDRKXADSROCWCG-FVLDFCIYSA-J 		(11Z)-icosenoyl-CoA
(11Z)-eicos-11-enoyl-CoA
(11Z)-icos-11-enoyl-CoA
11-(cis )-eiconsenoyl-CoA
11-(cis )-iconsenoyl-CoA
20:1 cis-11
cis-11-icosenoyl-CoA
gondoyl-CoA

bigg.metabolite:ei11ecoa
biggM:ei11ecoa
ZDRKXADSROCWCG-FVLDFCIYSA-J 		11-Eicosenoyl Coenzyme A

bigg.metabolite:CE5151
biggM:CE5151
vmhM:CE5151
vmhmetabolite:CE5151
ZDRKXADSROCWCG-FVLDFCIYSA-J
ZDRKXADSROCWCG-FVLDFCIYSA-N 		11-cis-eicosenoyl-CoA

vmhM:ei11ecoa
vmhmetabolite:ei11ecoa
ZDRKXADSROCWCG-FVLDFCIYSA-J 		11-eicosenoylcoa

seed.compound:cpd16344
seedM:cpd16344
ZDRKXADSROCWCG-FVLDFCIYSA-J 		Icosenoyl-CoA
(11Z)-Eicosenoyl-CoA
(11Z)-Icosenoyl-CoA
(11Z)-icos-11-enoyl-CoA
(11Z)-icosenoyl-CoA
Eicosenoyl-CoA

kegg.compound:C16530
keggC:C16530
ZDRKXADSROCWCG-FVLDFCIYSA-N 		Icosenoyl-CoA
(11Z)-Eicosenoyl-CoA
(11Z)-Icosenoyl-CoA
Eicosenoyl-CoA

biggM:M_CE5151
biggM:M_ei11ecoa
keggC:M_C16530
seedM:M_cpd16344
seedM:M_cpd24275
vmhM:M_CE5151
vmhM:M_ei11ecoa 		secondary/obsolete/fantasy identifier