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(2E,15Z)-tetracosadienoyl-CoA(4-)

PropertiesImage
MNX_IDMNXM145973 Image of MNXM145973
referencechebi:76393
formulaC45H74N7O17P3S
global charge-4
mol weight1110.108
InChIKeyVXYLAQGCUVCPNJ-KXWYWQGCSA-J
InChIInChI=1S/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-,25-24+/t34-,38-,39-,40+,44-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-,25-24+/t34-,38-,39-,40+,44-/m1/s1 Image of MNXM145973
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]/[CH:24]=[CH:25]/[C:36](=[O:54])[S:73][CH2:29][CH2:28][NH:47][C:35]([CH2:26][CH2:27][NH:48][C:43]([C@@H:40]([C:45]([CH3:2])([CH3:3])[CH2:31][O:66][P:72](=[O:63])([OH:64])[O:69][P:71](=[O:61])([OH:62])[O:65][CH2:30][C@@H:34]1[C@@H:39]([O:68][P:70]([OH:58])([OH:59])=[O:60])[C@@H:38]([OH:55])[C@H:44]([n:52]2[cH:33][n:51][c:37]3[c:41]([NH2:46])[n:49][cH:32][n:50][c:42]32)[O:67]1)[OH:56])=[O:57])=[O:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76393
chebi:76393
VXYLAQGCUVCPNJ-KXWYWQGCSA-J 		(2E,15Z)-tetracosadienoyl-CoA(4-)
(2E,15Z)-tetracosadienoyl-CoA
(2E,15Z)-tetracosadienoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,15Z)-tetracosa-2,15-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

metacyc.compound:CPD-22041
metacycM:CPD-22041
VXYLAQGCUVCPNJ-KXWYWQGCSA-J 		(2E,15Z)-tetracos-2,15-dienoyl-CoA

CHEBI:76523
chebi:76523
VXYLAQGCUVCPNJ-KXWYWQGCSA-N 		(2E,15Z)-tetracosadienoyl-CoA
(2E,15Z)-tetracosadienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,15Z)-tetracosa-2,15-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

bigg.metabolite:CE5158
biggM:CE5158
vmhM:nrvnccoaE
vmhM:nrvnccoaE
vmhmetabolite:nrvnccoaE
vmhmetabolite:nrvnccoaE
VXYLAQGCUVCPNJ-KXWYWQGCSA-J 		Trans,cis-2,15-tetracosadienoyl-CoA

vmhM:CE5158
vmhM:CE5158
biggM:M_CE5158
vmhM:M_nrvnccoaE 		secondary/obsolete/fantasy identifier