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(2E)-tetradecenoyl-CoA

MNXM654 is deprecated and here replaced by MNXM1104173
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104173 Image of MNXM1104173
referencechebi:61405
formulaC35H56N7O17P3S
global charge-4
mol weight971.854
InChIKeyMBCVYCOKMMMWLX-YYMFEJJQSA-J
InChIInChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b15-14+/t24-,28-,29-,30+,34-/m1/s1
SMILESCCCCCCCCCCC/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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30+,34-/m1/s1 Image of MNXM1104173
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]/[C:26](=[O:44])[S:63][CH2:19][CH2:18][N:37]=[C:25]([CH2:16][CH2:17][N:38]=[C:33]([C@@H:30]([C:35]([CH3:2])([CH3:3])[CH2:21][O:56][P:62]([OH:53])(=[O:54])[O:59][P:61]([OH:51])(=[O:52])[O:55][CH2:20][C@@H:24]1[C@@H:29]([O:58][P:60]([OH:48])([OH:49])=[O:50])[C@@H:28]([OH:45])[C@H:34]([N:42]2[CH:23]=[N:41][C:27]3=[C:31]([NH2:36])[N:39]=[CH:22][N:40]=[C:32]32)[O:57]1)[OH:46])[OH:47])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 21
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61405
chebi:61405
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		(2E)-tetradecenoyl-CoA
trans-2-tetradecenoyl-coenzyme A tetraanion
trans-tetradec-2-enoyl-CoA tetraanion
trans-tetradec-2-enoyl-CoA(4-)
trans-tetradec-2-enoyl-coenzyme A(4-)

bigg.metabolite:HC01412
biggM:HC01412
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		(2E)-Tetradecenoyl Coenzyme A
hmdb:HMDB0003946
MBCVYCOKMMMWLX-YYMFEJJQSA-N 		(2E)-Tetradecenoyl-CoA
(2E)-Tetradecenoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
trans-Tetra-dec-2-enoyl-CoA
trans-Tetra-dec-2-enoyl-coa.
trans-Tetra-dec-2-enoyl-coenzyme A
trans-Tetra-dec-2-enoyl-coenzyme A.
trans-Tetradec-2-enoyl-CoA
trans-Tetradec-2-enoyl-coenzyme A
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd03127
seedM:cpd03127
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		(2E)-Tetradecenoyl-CoA
(2E)-tetradecenoyl-CoA
2-trans-tetradecenoyl-CoA
2E)-tetradec-2-enoyl-CoA
td2coa
trans-Tetradec-2-enoyl-CoA
trans-Tetradec-2-enoyl-CoA phosphate, n=30)
trans-tetradec-2-enoyl-CoA

metacyc.compound:CPD-15568
metacycM:CPD-15568
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		(2E)-tetradec-2-enoyl-CoA
(2E)-tetradecenoyl-CoA
2-trans-tetradecenoyl-CoA
trans-tetradec-2-enoyl-CoA

SLM:000001021
slm:000001021
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		(2E)-tetradecenoyl-CoA

bigg.metabolite:tetdece1coa
biggM:tetdece1coa
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		Tetradecenoyl-CoA
(2E)-Tetradecenoyl-CoA

bigg.metabolite:td2coa
biggM:td2coa
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		Trans-Tetradec-2-enoyl-CoA

vmhM:tetdece1coa
vmhmetabolite:tetdece1coa
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		tetradecenoylcoa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)pho

vmhM:td2coa
vmhmetabolite:td2coa
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		trans-Tetradec-2-enoyl-CoA

sabiork.compound:2750
sabiorkM:2750
kegg.compound:C05273
keggC:C05273
MBCVYCOKMMMWLX-YYMFEJJQSA-N 		trans-Tetradec-2-enoyl-CoA
(2E)-Tetradecenoyl-CoA

vmhM:HC01412
vmhmetabolite:HC01412
MBCVYCOKMMMWLX-YYMFEJJQSA-J 		trans-tetradec-2-enoyl-CoA(4-)
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

reactome:R-ALL-77273
reactomeM:R-ALL-77273
CHEBI:27721
chebi:27721
MBCVYCOKMMMWLX-YYMFEJJQSA-N 		trans-tetradec-2-enoyl-CoA
(2E)-Tetradecenoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-tetradec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
trans-Tetradec-2-enoyl-CoA
trans-tetradec-2-enoyl-coenzyme A

lipidmaps:LMFA07050396
lipidmapsM:LMFA07050396
MBCVYCOKMMMWLX-YYMFEJJQSA-N 		trans-tetradec-2-enoyl-CoA
2E-tetradecenoyl-CoA
CoA 14:1
trans-tetradec-2-enoyl-coenzyme A

hmdb:HMDB0013082
hmdb:HMDB03946
hmdb:HMDB13082
chebi:10734
chebi:27079
biggM:M_HC01412
biggM:M_td2coa
biggM:M_tetdece1coa
keggC:M_C05273
seedM:M_cpd03127
vmhM:M_HC01412
vmhM:M_td2coa
vmhM:M_tetdece1coa 		secondary/obsolete/fantasy identifier