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(2E,4E)-decadienoyl-CoA

PropertiesImage
MNX_IDMNXM1104901 Image of MNXM1104901
referencechebi:62244
formulaC31H46N7O17P3S
global charge-4
mol weight913.73
InChIKeyFASAKYLWSRDQOH-PPQZQFPZSA-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 MNXM1104901
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)8
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62244
chebi:62244
FASAKYLWSRDQOH-PPQZQFPZSA-J 		(2E,4E)-decadienoyl-CoA
(2E,4E)-deca-2,4-dienoyl-CoA(4-)
(E,E)-deca-2,4-dienoyl-CoA(4-)
trans,trans-2,3,4,5-tetradehydroacyl-CoA (C10) (4-)
trans,trans-deca-2,4-dienoyl-CoA(4-)
trans-Delta(2),trans-Delta(4)-decadienoyl-CoA(4-)

metacyc.compound:CPD0-2557
metacycM:CPD0-2557
FASAKYLWSRDQOH-PPQZQFPZSA-J 		(2E,4E)-dec-2,4-dienoyl-CoA
trans,trans-2,4-decadienoyl-CoA
trans-Delta2, trans-Delta4-decadienoyl-CoA

SLM:000390080
slm:000390080
FASAKYLWSRDQOH-PPQZQFPZSA-J 		(2E,4E)-decadienoyl-CoA

bigg.metabolite:dec24dicoa
biggM:dec24dicoa
FASAKYLWSRDQOH-PPQZQFPZSA-J 		2,4-Decadienoyl Coenzyme A

bigg.metabolite:decdicoa
biggM:decdicoa
FASAKYLWSRDQOH-PPQZQFPZSA-J 		Decadienoyl Coenzyme A

vmhM:ctdecdcoa
vmhmetabolite:ctdecdcoa
FASAKYLWSRDQOH-PPQZQFPZSA-J 		cis2trans4decadienoylcoa

seed.compound:cpd33282
seedM:cpd33282
FASAKYLWSRDQOH-PPQZQFPZSA-J 		trans,trans-2,4-decadienoyl-CoA
trans-delta2, trans-delta4-decadienoyl-CoA

lipidmaps:LMFA07050376
lipidmapsM:LMFA07050376
FASAKYLWSRDQOH-PPQZQFPZSA-N 		trans,trans-deca-2,4-dienoyl-CoA
(2E,4E)-deca-2,4-dienoyl-CoA
(E,E)-deca-2,4-dienoyl-CoA
2E,4E-decadienoyl-CoA
CoA 10:2
trans-Delta(2),trans-Delta(4)-decadienoyl-CoA

CHEBI:62409
chebi:62409
FASAKYLWSRDQOH-PPQZQFPZSA-N 		trans,trans-deca-2,4-dienoyl-CoA
(2E,4E)-deca-2,4-dienoyl-CoA
(E,E)-deca-2,4-dienoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E,4E)-deca-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
trans-Delta(2),trans-Delta(4)-decadienoyl-CoA

biggM:M_dec24dicoa
biggM:M_decdicoa
seedM:M_cpd33282
vmhM:M_ctdecdcoa 		secondary/obsolete/fantasy identifier