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3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA

PropertiesImage
MNX_IDMNXM146094 Image of MNXM146094
referencechebi:74288
formulaC53H84N7O18P3S
global charge-4
mol weight1232.275
InChIKeySJGYKRZVARNDFR-CCCQGKLYSA-J
InChIInChI=1S/C53H88N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h8-9,11-12,14-15,17-18,39-40,42,46-48,52,64-65H,4-7,10,13,16,19-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/p-4/b9-8-,12-11-,15-14-,18-17-/t42-,46-,47-,48+,52-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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/C53H88N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h8-9,11-12,14-15,17-18,39-40,42,46-48,52,64-65H,4-7,10,13,16,19-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/b9-8-,12-11-,15-14-,18-17-/t42-,46-,47-,48+,52-/m1/s1 Image of MNXM146094
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][CH2:30][CH2:31][C:41]([CH2:36][C:44](=[O:63])[S:82][CH2:35][CH2:34][N:55]=[C:43]([CH2:32][CH2:33][N:56]=[C:51]([C@@H:48]([C:53]([CH3:2])([CH3:3])[CH2:38][O:75][P:81]([OH:72])(=[O:73])[O:78][P:80]([OH:70])(=[O:71])[O:74][CH2:37][C@@H:42]1[C@@H:47]([O:77][P:79]([OH:67])([OH:68])=[O:69])[C@@H:46]([OH:64])[C@H:52]([N:60]2[CH:40]=[N:59][C:45]3=[C:49]([NH2:54])[N:57]=[CH:39][N:58]=[C:50]32)[O:76]1)[OH:65])[OH:66])[OH:62])=[O:61]
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:74288
chebi:74288
SJGYKRZVARNDFR-CCCQGKLYSA-J 		3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA
(17Z,20Z,23Z,26Z)-3-ketodotriacontatetraenoyl-CoA(4-)
(17Z,20Z,23Z,26Z)-3-ketodotriacontatetraenoyl-coenzyme A(4-)
(17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-CoA(4-)
(17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(17Z,20Z,23Z,26Z)-3-oxodotriaconta-17,20,23,26-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
3-keto-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4-)
3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4-)
3-oxo-C32:4(omega-6)-CoA(4-)
3-oxo-all-cis-(omega-6)-dotriacontatetranoyl-CoA(4-)

CHEBI:74504
chebi:74504
SJGYKRZVARNDFR-CCCQGKLYSA-N 		(17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-CoA
(17Z,20Z,23Z,26Z)-3-ketodotriacontatetraenoyl-CoA
(17Z,20Z,23Z,26Z)-3-ketodotriacontatetraenoyl-coenzyme A
(17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(17Z,20Z,23Z,26Z)-3-oxodotriaconta-17,20,23,26-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
3-oxo-C32:4(omega-6)-CoA

SLM:000000756
slm:000000756
SJGYKRZVARNDFR-CCCQGKLYSA-J 		3-oxo-(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA