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Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)

PropertiesImage
MNX_IDMNXM35512 Image of MNXM35512
referencechebi:176725
formulaC47H80O2
global charge0
mol weight677.155
InChIKeyREFJKOQDWJELKE-AKLGJIFXSA-N
InChIInChI=1S/C47H80O2/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/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=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/C47H80O2/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/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1 Image of MNXM35512
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][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) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176725
chebi:176725
REFJKOQDWJELKE-AKLGJIFXSA-N 		Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (11Z,14Z)-icosa-11,14-dienoate

SLM:000500283
slm:000500283
REFJKOQDWJELKE-AKLGJIFXSA-N 		(11Z,14Z-eicosadienoyl)-cholesterol
CE(20:2(11Z,14Z))
Cholesteryl (11Z,14Z-eicosadienoate)
Cholesteryl ester (20:2(11Z,14Z))

lipidmaps:LMST01020012
lipidmapsM:LMST01020012
REFJKOQDWJELKE-AKLGJIFXSA-N 		20:2 Cholesterol ester
CE 20:2
CE(20:2)
cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)
hmdb:HMDB0006734
REFJKOQDWJELKE-NJJZEKHRSA-N 		CE(20:2(6Z,9Z))
(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 (11Z,14Z)-icosa-11,14-dienoic 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 (11Z,14Z)-icosa-11,14-dienoate
1-O-(4-O-b-D-Galactopyranosyl-b-D-glucopyranosyl)-ceramide
1-O-(4-O-beta-D-Galactopyranosyl-beta-glucopyranosyl)ceramide
1-O-(4-O-beta-delta-Galactopyranosyl-beta-delta-glucopyranosyl)-ceramide
1-O-(4-O-beta-delta-Galactopyranosyl-beta-glucopyranosyl)ceramide
1Ylce-O-(4-O-beta-delta-galactopyranosyl-beta-glucopyranosyl)ceramide
20:2 Cholesterol ester
CDH
CDW17 Antigen
Cholest-5-en-3-ol(3b)-11,14-eicosadienoate
Cholest-5-en-3-ol(3b)-11,14-eicosadienoic acid
Cholesteryl eicosadienoate
Cholesteryl eicosadienoic acid
Cytopylin H
D-Galactosyl-1,4-beta-D-glucosylceramide
Gal-beta1->4GLC-beta1->1'cer
LacCer
LacCer(D18:1/16:0)
Lactosyl ceramide (D18:1/16:0)
Lactosyl-N-acylsphingosine
Lactosylceramide
N-(Hexadecanoyl)-1-b-lactosyl-sphing-4-enine
N-(Hexadecanoyl)-1-beta-lactosyl-sphing-4-enine
N-Lignoceryl sphingosyl lactoside
beta-D-Galactosyl-1,4-beta-D-glucosylceramide
beta-delta-Galactosyl-1,4-beta-delta-glucosramide
beta-delta-Galactosyl-1,4-beta-delta-glucosylceramide
delta-Galactosyl-1,4-beta-delta-glucosylceramide

CHEBI:88775
chebi:88775
REFJKOQDWJELKE-NJJZEKHRSA-N 		CE(20:2(6Z,9Z))
(2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (11Z,14Z)-icosa-11,14-dienoate
20:2 Cholesterol ester
Cholest-5-en-3-ol(3b)-11,14-eicosadienoate
Cholest-5-en-3-ol(3b)-11,14-eicosadienoic acid
Cholesteryl eicosadienoate
Cholesteryl eicosadienoic acid

bigg.metabolite:M01456
biggM:M01456
vmhM:M01456
vmhmetabolite:M01456
REFJKOQDWJELKE-AKLGJIFXSA-N
REFJKOQDWJELKE-NJJZEKHRSA-N 		Cholest-5-En-3Beta-Yl (11Z,14Z-Eicosadienoate)
hmdb:HMDB0062455
REFJKOQDWJELKE-AKLGJIFXSA-N 		cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (11Z,14Z)-icosa-11,14-dienoate
Cholest-5-en-3b-yl (11Z,14Z-eicosadienoate)
Cholest-5-en-3b-yl (11Z,14Z-eicosadienoic acid)
Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)
Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoic acid)

hmdb:HMDB06734
hmdb:HMDB62455
biggM:M_M01456
vmhM:M_M01456 		secondary/obsolete/fantasy identifier