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3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA

PropertiesImage
MNX_IDMNXM146091 Image of MNXM146091
referencechebi:74286
formulaC51H80N7O18P3S
global charge-4
mol weight1204.221
InChIKeyZXWSUHYGFMIIBP-TUGBWWEVSA-J
InChIInChI=1S/C51H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h8-9,11-12,14-15,17-18,37-38,40,44-46,50,62-63H,4-7,10,13,16,19-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/p-4/b9-8-,12-11-,15-14-,18-17-/t40-,44-,45-,46+,50-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)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/C51H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h8-9,11-12,14-15,17-18,37-38,40,44-46,50,62-63H,4-7,10,13,16,19-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/b9-8-,12-11-,15-14-,18-17-/t40-,44-,45-,46+,50-/m1/s1 Image of MNXM146091
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:39]([CH2:34][C:42](=[O:61])[S:80][CH2:33][CH2:32][N:53]=[C:41]([CH2:30][CH2:31][N:54]=[C:49]([C@@H:46]([C:51]([CH3:2])([CH3:3])[CH2:36][O:73][P:79]([OH:70])(=[O:71])[O:76][P:78]([OH:68])(=[O:69])[O:72][CH2:35][C@@H:40]1[C@@H:45]([O:75][P:77]([OH:65])([OH:66])=[O:67])[C@@H:44]([OH:62])[C@H:50]([N:58]2[CH:38]=[N:57][C:43]3=[C:47]([NH2:52])[N:55]=[CH:37][N:56]=[C:48]32)[O:74]1)[OH:63])[OH:64])[OH:60])=[O:59]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74286
chebi:74286
ZXWSUHYGFMIIBP-TUGBWWEVSA-J 		3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA
(15Z,18Z,21Z,24Z)-3-ketotriacontatetraenoyl-CoA(4-)
(15Z,18Z,21Z,24Z)-3-ketotriacontatetraenoyl-coenzyme A(4-)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4-)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z,18Z,21Z,24Z)-3-oxotriaconta-15,18,21,24-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
3-keto-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA(4-)
3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA(4-)
3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-coenzyme A(4-)
3-oxo-(all cis)-(omega-6)-triacontatetraenoyl-CoA(4-)
3-oxo-C30:4(omega-6)-CoA(4-)

CHEBI:74496
chebi:74496
ZXWSUHYGFMIIBP-TUGBWWEVSA-N 		(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA
(15Z,18Z,21Z,24Z)-3-ketotriacontatetraenoyl-CoA
(15Z,18Z,21Z,24Z)-3-ketotriacontatetraenoyl-coenzyme A
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z,18Z,21Z,24Z)-3-oxotriaconta-15,18,21,24-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
3-oxo-C30:4(omega-6)-CoA

SLM:000000754
slm:000000754
ZXWSUHYGFMIIBP-TUGBWWEVSA-J 		3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA