Search MNXref
 Feedback

(2E)-hexacosenoyl-CoA

MNXM114303 is deprecated and here replaced by MNXM1103853
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103853 Image of MNXM1103853
referencechebi:74281
formulaC47H80N7O17P3S
global charge-4
mol weight1140.178
InChIKeyGGUUXBBWTGIIGE-KESUDTCVSA-J
InChIInChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b27-26+/t36-,40-,41-,42+,46-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCC/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/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b27-26+/t36-,40-,41-,42+,46-/m1/s1 Image of MNXM1103853
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]/[CH:26]=[CH:27]/[C:38](=[O:56])[S:75][CH2:31][CH2:30][N:49]=[C:37]([CH2:28][CH2:29][N:50]=[C:45]([C@@H:42]([C:47]([CH3:2])([CH3:3])[CH2:33][O:68][P:74]([OH:65])(=[O:66])[O:71][P:73]([OH:63])(=[O:64])[O:67][CH2:32][C@@H:36]1[C@@H:41]([O:70][P:72]([OH:60])([OH:61])=[O:62])[C@@H:40]([OH:57])[C@H:46]([N:54]2[CH:35]=[N:53][C:39]3=[C:43]([NH2:48])[N:51]=[CH:34][N:52]=[C:44]32)[O:69]1)[OH:58])[OH:59])[OH:55]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74281
chebi:74281
GGUUXBBWTGIIGE-KESUDTCVSA-J 		(2E)-hexacosenoyl-CoA
(E)-2-hexacosenoyl-CoA(4-)
(E)-2-hexacosenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
trans-2-hexacosenoyl-CoA(4-)
trans-2-hexacosenoyl-coenzyme A(4-)

bigg.metabolite:M00049
biggM:M00049
vmhM:M00049
vmhmetabolite:M00049
GGUUXBBWTGIIGE-KESUDTCVSA-J
GGUUXBBWTGIIGE-KESUDTCVSA-N 		(2E)-Hexacosenoyl Coenzyme A

seed.compound:cpd24273
seedM:cpd24273
GGUUXBBWTGIIGE-KESUDTCVSA-J 		(2E)-cerotenoyl-CoA
trans-2,3-dihydro-cerotenoyl-CoA
trans-cerot-2-enoyl-CoA

SLM:000389407
slm:000389407
GGUUXBBWTGIIGE-KESUDTCVSA-J 		(2E)-hexacosenoyl-CoA

lipidmaps:LMFA07050383
lipidmapsM:LMFA07050383
GGUUXBBWTGIIGE-KESUDTCVSA-N 		trans-2-hexacosenoyl-CoA
(2E)-hexacos-2-enoyl-CoA
(2E)-hexacos-2-enoyl-coenzyme A
(E)-2-hexacosenoyl-CoA
(E)-hexacos-2-enoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
CoA 26:1
trans-2-hexacosenoyl-coenzyme A
trans-hexacos-2-enoyl-CoA
trans-hexacos-2-enoyl-coenzyme A

reactome:R-ALL-390249
reactomeM:R-ALL-390249
CHEBI:52975
chebi:52975
GGUUXBBWTGIIGE-KESUDTCVSA-N 		trans-2-hexacosenoyl-CoA
(2E)-hexacos-2-enoyl-CoA
(2E)-hexacos-2-enoyl-coenzyme A
(E)-2-hexacosenoyl-CoA
(E)-hexacos-2-enoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
trans-2-hexacosenoyl-coenzyme A
trans-hexacos-2-enoyl-CoA
trans-hexacos-2-enoyl-coenzyme A

metacyc.compound:CPD-14283
metacycM:CPD-14283
GGUUXBBWTGIIGE-KESUDTCVSA-J 		trans-cerot-2-enoyl-CoA
(2E)-cerotenoyl-CoA
trans-2,3-dihydro-cerotenoyl-CoA

biggM:M_M00049
seedM:M_cpd24273
vmhM:M_M00049 		secondary/obsolete/fantasy identifier