Search MNXref
 Feedback

(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA

PropertiesImage
MNX_IDMNXM145985 Image of MNXM145985
referencechebi:76483
formulaC59H94N7O17P3S
global charge-4
mol weight1298.422
InChIKeyYGURXRLJAPLDGC-IQFANKKTSA-J
InChIInChI=1S/C59H98N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-50(68)87-43-42-61-49(67)40-41-62-57(71)54(70)59(2,3)45-80-86(77,78)83-85(75,76)79-44-48-53(82-84(72,73)74)52(69)58(81-48)66-47-65-51-55(60)63-46-64-56(51)66/h5-6,8-9,11-12,14-15,17-18,38-39,46-48,52-54,58,69-70H,4,7,10,13,16,19-37,40-45H2,1-3H3,(H,61,67)(H,62,71)(H,75,76)(H,77,78)(H2,60,63,64)(H2,72,73,74)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,39-38+/t48-,52-,53-,54+,58-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC/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/C59H98N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-50(68)87-43-42-61-49(67)40-41-62-57(71)54(70)59(2,3)45-80-86(77,78)83-85(75,76)79-44-48-53(82-84(72,73)74)52(69)58(81-48)66-47-65-51-55(60)63-46-64-56(51)66/h5-6,8-9,11-12,14-15,17-18,38-39,46-48,52-54,58,69-70H,4,7,10,13,16,19-37,40-45H2,1-3H3,(H,61,67)(H,62,71)(H,75,76)(H,77,78)(H2,60,63,64)(H2,72,73,74)/b6-5-,9-8-,12-11-,15-14-,18-17-,39-38+/t48-,52-,53-,54+,58-/m1/s1 Image of MNXM145985
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH: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][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]/[CH:38]=[CH:39]/[C:50](=[O:68])[S:87][CH2:43][CH2:42][N:61]=[C:49]([CH2:40][CH2:41][N:62]=[C:57]([C@@H:54]([C:59]([CH3:2])([CH3:3])[CH2:45][O:80][P:86]([OH:77])(=[O:78])[O:83][P:85]([OH:75])(=[O:76])[O:79][CH2:44][C@@H:48]1[C@@H:53]([O:82][P:84]([OH:72])([OH:73])=[O:74])[C@@H:52]([OH:69])[C@H:58]([N:66]2[CH:47]=[N:65][C:51]3=[C:55]([NH2:60])[N:63]=[CH:46][N:64]=[C:56]32)[O:81]1)[OH:70])[OH:71])[OH:67]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76483
chebi:76483
YGURXRLJAPLDGC-IQFANKKTSA-J 		(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4-)
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-coenzyme A(4-)
2trans,23cis,26cis,29cis,32cis,35cis-octatriacontahexaenoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,23Z,26Z,29Z,32Z,35Z)-octatriaconta-2,23,26,29,32,35-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

SLM:000389653
slm:000389653
YGURXRLJAPLDGC-IQFANKKTSA-J 		(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA

CHEBI:76670
chebi:76670
YGURXRLJAPLDGC-IQFANKKTSA-N 		(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA
(2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,23Z,26Z,29Z,32Z,35Z)-octatriaconta-2,23,26,29,32,35-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}