Search MNXref
 Feedback

(2E,4Z)-decadienoyl-CoA

PropertiesImage
MNX_IDMNXM1601 Image of MNXM1601
referencechebi:137593
formulaC31H46N7O17P3S
global charge-4
mol weight913.73
InChIKeyFASAKYLWSRDQOH-IMVFQKDNSA-J
InChIInChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1
SMILESCCCCC/C=C\C=C\C(=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/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1 Image of MNXM1601
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH:10]=[CH:11]\[C:22](=[O:40])[S:59][CH2:15][CH2:14][N:33]=[C:21]([CH2:12][CH2:13][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:17][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:16][C@@H:20]1[C@@H:25]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:24]([OH:41])[C@H:30]([N:38]2[CH:19]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:18][N:36]=[C:28]32)[O:53]1)[OH:42])[OH:43])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:137593
chebi:137593
FASAKYLWSRDQOH-IMVFQKDNSA-J 		(2E,4Z)-decadienoyl-CoA
(2E,4Z)-deca-2,4-dienoyl-CoA(4-)

lipidmaps:LMFA07050110
lipidmapsM:LMFA07050110
FASAKYLWSRDQOH-IMVFQKDNSA-N 		(2-trans,4-cis)-deca-2,4-dienoyl-CoA
(2-trans,4-cis)-deca-2,4-dienoyl-coenzyme A
(2t,4c)-deca-2,4-dienoyl-CoA
2-trans-4-cis-decadienoyl-CoA
2-trans-4-cis-decadienoyl-coenzyme A
2E,4Z-decadienoyl-CoA
CoA 10:2

reactome:R-ALL-109990
reactomeM:R-ALL-109990
CHEBI:29119
chebi:29119
FASAKYLWSRDQOH-IMVFQKDNSA-N 		(2E,4Z)-deca-2,4-dienoyl-CoA
(2-trans,4-cis)-deca-2,4-dienoyl-coenzyme A
(2E,4Z)-decadienoyl-CoA
(2t,4c)-deca-2,4-dienoyl-CoA
2-trans-4-cis-decadienoyl-CoA
2-trans-4-cis-decadienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(2R)-4-({3-[(2-{[(2E,4Z)-deca-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

metacyc.compound:T2-C4-DECADIENYL-COA
metacycM:T2-C4-DECADIENYL-COA
FASAKYLWSRDQOH-IMVFQKDNSA-J 		(2E,4Z)-deca-2,4-dienoyl-CoA
trans-Delta2, cis-Delta4-decadienoyl-CoA

vmhM:dec24dicoa
vmhmetabolite:dec24dicoa
FASAKYLWSRDQOH-IMVFQKDNSA-J 		2,4-decadienoylcoa
hmdb:HMDB0062344
FASAKYLWSRDQOH-IMVFQKDNSA-N 		2-trans-4-cis-decadienoyl-CoA
(2-trans,4-cis)-Deca-2,4-dienoyl-coenzyme A
(2E,4Z)-Decadienoyl-CoA
(2t,4C)-Deca-2,4-dienoyl-CoA
2,4-Decadienoyl-CoA
2,4-Decadienoyl-coenzyme A
2-trans,4-cis-Decadienoyl-CoA
2-trans-4-cis-Decadienoyl-CoA
2-trans-4-cis-Decadienoyl-coenzyme A
2-trans-4-cis-decadienoyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(2E,4Z)-deca-2,4-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

vmhM:decdicoa
vmhmetabolite:decdicoa
FASAKYLWSRDQOH-IMVFQKDNSA-J 		decadienoylcoa

seed.compound:cpd28212
seedM:cpd28212
FASAKYLWSRDQOH-IMVFQKDNSA-J 		trans-delta2, cis-delta4-decadienoyl-CoA
hmdb:HMDB0304510
FASAKYLWSRDQOH-IMVFQKDNSA-J 		trans-delta2, cis-delta4-decadienoyl-CoA
(2E,4Z)-Decadienoyl-CoA
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(2E,4Z)-deca-2,4-dienoylsulfanyl]ethyl}carboximidato)ethyl]-2-hydroxy-3,3-dimethylbutanecarboximidate
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-[2-({2-[(2E,4Z)-deca-2,4-dienoylsulfanyl]ethyl}carboximidato)ethyl]-2-hydroxy-3,3-dimethylbutanecarboximidate

hmdb:HMDB62344
seedM:M_cpd28212
vmhM:M_dec24dicoa
vmhM:M_decdicoa 		secondary/obsolete/fantasy identifier