Search MNXref
 Feedback

(3R)-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA

PropertiesImage
MNX_IDMNXM146010 Image of MNXM146010
referencechebi:76491
formulaC47H70N7O18P3S
global charge-4
mol weight1146.097
InChIKeyHJHGIVNGUOBMSF-BDGXUZSASA-J
InChIInChI=1S/C47H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,20-21,33-36,40-42,46,55,58-59H,4,7,10,13,16,19,22-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t35-,36-,40-,41-,42+,46-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC[C@@H](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/C47H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,20-21,33-36,40-42,46,55,58-59H,4,7,10,13,16,19,22-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t35-,36-,40-,41-,42+,46-/m1/s1 Image of MNXM146010
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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][C@H:35]([CH2:30][C:38](=[O:57])[S:76][CH2:29][CH2:28][N:49]=[C:37]([CH2:26][CH2:27][N:50]=[C:45]([C@@H:42]([C:47]([CH3:2])([CH3:3])[CH2:32][O:69][P:75]([OH:66])(=[O:67])[O:72][P:74]([OH:64])(=[O:65])[O:68][CH2:31][C@@H:36]1[C@@H:41]([O:71][P:73]([OH:61])([OH:62])=[O:63])[C@@H:40]([OH:58])[C@H:46]([N:54]2[CH:34]=[N:53][C:39]3=[C:43]([NH2:48])[N:51]=[CH:33][N:52]=[C:44]32)[O:70]1)[OH:59])[OH:60])[OH:56])[OH:55]
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:76491
chebi:76491
HJHGIVNGUOBMSF-BDGXUZSASA-J 		(3R)-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4-)
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-coenzyme A(4-)
(R)-3-OH-C26:6(omega-3)-CoA(4-)
(R)-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4-)
(R)-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,8Z,11Z,14Z,17Z,20Z,23Z)-3-hydroxyhexacosa-8,11,14,17,20,23-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
D-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4-)

SLM:000389655
slm:000389655
HJHGIVNGUOBMSF-BDGXUZSASA-J 		(3R)-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA

CHEBI:76672
chebi:76672
HJHGIVNGUOBMSF-BDGXUZSASA-N 		(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-coenzyme A
(R)-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA
(R)-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,8Z,11Z,14Z,17Z,20Z,23Z)-3-hydroxyhexacosa-8,11,14,17,20,23-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}