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cholesteryl (8Z,11Z,14Z)-eicosatrienoate

PropertiesImage
MNX_IDMNXM45914 Image of MNXM45914
referencechebi:84346
formulaC47H78O2
global charge0
mol weight675.139
InChIKeyMLPRJPSMAFZPLA-BBFGHUFCSA-N
InChIInChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
MNX internals
InChI (mnx)InChI=1/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1 Image of MNXM45914
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][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][CH2:27][C:45](=[O:48])[O:49][C@H:40]1[CH2:32][CH2:34][C@@:46]2([CH3:5])[C:39](=[CH:28][CH2:29][C@H:41]3[C@@H:43]4[CH2:31][CH2:30][C@H:42]([C@H:38]([CH3:4])[CH2:26][CH2:24][CH2:25][CH:37]([CH3:2])[CH3:3])[C@@:47]4([CH3:6])[CH2:35][CH2:33][C@@H:44]32)[CH2:36]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84346
chebi:84346
MLPRJPSMAFZPLA-BBFGHUFCSA-N 		cholesteryl (8Z,11Z,14Z)-eicosatrienoate
(3beta)-cholest-5-en-3-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
20:3 Cholesteryl ester
CE(20:3(8Z,11Z,14Z))
CE(20:3)
cholesteryl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
cholesteryl all-cis-icosa-8,11,14-trienoate

SLM:000500282
slm:000500282
MLPRJPSMAFZPLA-BBFGHUFCSA-N 		(8Z,11Z,14Z-eicosatrienoyl)-cholesterol
CE(20:3(8Z,11Z,14Z))
Cholesteryl (8Z,11Z,14Z-eicosatrienoate)
Cholesteryl ester (20:3(8Z,11Z,14Z))

lipidmaps:LMST01020013
lipidmapsM:LMST01020013
MLPRJPSMAFZPLA-BBFGHUFCSA-N 		20:3 Cholesterol ester
CE 20:3
CE(20:3)
cholest-5-en-3beta-yl (8Z,11Z,14Z-eicosatrienoate)

lipidmaps:LMST01020171
lipidmapsM:LMST01020171
MLPRJPSMAFZPLA-BBFGHUFCSA-N 		20:3 Cholesterol(d7)
25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (9Z-hexadecenoate)
cholest-5-en-3beta-yl(d7) (8Z,11Z,14Z-eicosatrienoate)
cholesteryl-d7 eicosa-8Z,11Z,14Z-trienoate
hmdb:HMDB0006736
MLPRJPSMAFZPLA-BBFGHUFCSA-N 		CE(20:3(8Z,11Z,14Z))
(2R,5S,15R)-2,15-Dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid
(2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(8Z,11Z,14Z-Eicosatrienoyl)-cholesterol
1-Homo-g-linolenoyl-cholesterol
20:3 Cholesterol ester
20:3(8Z,11Z,14Z) Cholesterol ester
CE(20:3)
CE(20:3/0:0)
Cholest-5-en-3beta-yl (8Z,11Z,14Z-eicosatrienoate
Cholest-5-en-3beta-yl (8Z,11Z,14Z-eicosatrienoate)
Cholest-5-en-3beta-yl (8Z,11Z,14Z-eicosatrienoic acid
Cholesterol 1-(8Z,11Z,14Z-eicosatrienoate)
Cholesterol 1-(8Z,11Z,14Z-eicosatrienoic acid)
Cholesterol 1-homo-g-linolenoate
Cholesterol 1-homo-g-linolenoic acid
Cholesterol ester(20:3)
Cholesterol ester(20:3/0:0)
Cholesteryl 1-(8Z,11Z,14Z-eicosatrienoate)
Cholesteryl 1-(8Z,11Z,14Z-eicosatrienoic acid)
Cholesteryl 1-homo-g-linolenoate
Cholesteryl 1-homo-g-linolenoic acid
Cholesteryl eicosatrienoate
Cholesteryl eicosatrienoic acid

bigg.metabolite:M01490
biggM:M01490
vmhM:M01490
vmhmetabolite:M01490
MLPRJPSMAFZPLA-BBFGHUFCSA-N 		Cholest-5-En-3Beta-Yl (8Z,11Z,14Z-Eicosatrienoate)

hmdb:HMDB06736
biggM:M_M01490
vmhM:M_M01490 		secondary/obsolete/fantasy identifier