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(3E)-decenoyl-CoA

MNXM90096 is deprecated and here replaced by MNXM1105996
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105996 Image of MNXM1105996
referencechebi:84793
formulaC31H48N7O17P3S
global charge-4
mol weight915.746
InChIKeyCQGVNMQHZQJNII-ZJZQAHHTSA-J
InChIInChI=1S/C31H52N7O17P3S/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/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b10-9+/t20-,24-,25-,26+,30-/m1/s1
SMILESCCCCCC/C=C/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/C31H52N7O17P3S/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/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b10-9+/t20-,24-,25-,26+,30-/m1/s1 Image of MNXM1105996
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[CH2:11][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)10
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84793
chebi:84793
CQGVNMQHZQJNII-ZJZQAHHTSA-J 		(3E)-decenoyl-CoA
trans-3-decenoyl-CoA(4-)
trans-dec-3-enoyl-CoA(4-)

metacyc.compound:CPD-15692
metacycM:CPD-15692
seed.compound:cpd32438
seedM:cpd32438
CQGVNMQHZQJNII-ZJZQAHHTSA-J 		(3E)-dec-3-enoyl-CoA
3-trans-decenoyl-CoA
3E-decenoyl-CoA
trans-dec-3-enoyl-CoA

SLM:000390081
slm:000390081
CQGVNMQHZQJNII-ZJZQAHHTSA-J 		(3E)-decenoyl-CoA

bigg.metabolite:dece3coa
biggM:dece3coa
CQGVNMQHZQJNII-ZJZQAHHTSA-J 		3-Decenoyl Coenzyme A

vmhM:dece3coa
vmhmetabolite:dece3coa
CQGVNMQHZQJNII-ZJZQAHHTSA-J 		3-decenoylcoa
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

sabiork.compound:26402
sabiorkM:26402
CQGVNMQHZQJNII-ZJZQAHHTSA-N 		trans-3-Decenoyl-CoA
hmdb:HMDB0002137
CQGVNMQHZQJNII-ZJZQAHHTSA-N 		trans-3-Decenoyl-CoA
(e)-S-3-Decenoate
(e)-S-3-Decenoate CoA
(e)-S-3-Decenoate coenzyme A
(e)-S-3-Decenoic acid
3-trans-Decenoyl-CoA
3-trans-Decenoyl-coenzyme A
3-trans-decenoyl-coa
S-(3E)-3-Decenoate
S-(3E)-3-DecenoateCoA
S-(3E)-3-Decenoatecoenzyme A
S-(3E)-3-Decenoic acid
trans-3-Decenoyl-coenzyme A
trans-Dec-3-enoyl-coenzyme A
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3E)-dec-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

lipidmaps:LMFA07050386
lipidmapsM:LMFA07050386
CQGVNMQHZQJNII-ZJZQAHHTSA-N 		trans-3-Decenoyl-CoA
CoA 10:1
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3E)-dec-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

vmhM:CE5121
vmhmetabolite:CE5121
CQGVNMQHZQJNII-ZJZQAHHTSA-N 		trans-3-decenoyl-CoA
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

reactome:R-ALL-109994
reactomeM:R-ALL-109994
CHEBI:29126
chebi:29126
CQGVNMQHZQJNII-ZJZQAHHTSA-N 		trans-dec-3-enoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E)-dec-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-trans-decenoyl-CoA
3-trans-decenoyl-coenzyme A
trans-3-decenoyl-CoA
trans-3-decenoyl-coenzyme A
trans-dec-3-enoyl-coenzyme A

hmdb:HMDB02137
biggM:M_dece3coa
seedM:M_cpd32438
vmhM:M_CE5121
vmhM:M_dece3coa 		secondary/obsolete/fantasy identifier