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cholesteryl octadecanoate

MNXM736464 is deprecated and replaced by MNXM736463
PropertiesImage
MNX_IDMNXM736463 Image of MNXM736463
referencechebi:82750
formulaC45H80O2
global charge0
mol weight653.133
InChIKeyXHRPOTDGOASDJS-XNTGVSEISA-N
InChIInChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=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/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 Image of MNXM736463
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:25][C:43](=[O:46])[O:47][C@H:38]1[CH2:30][CH2:32][C@@:44]2([CH3:5])[C:37](=[CH:26][CH2:27][C@H:39]3[C@@H:41]4[CH2:29][CH2:28][C@H:40]([C@H:36]([CH3:4])[CH2:24][CH2:22][CH2:23][CH:35]([CH3:2])[CH3:3])[C@@:45]4([CH3:6])[CH2:33][CH2:31][C@@H:42]32)[CH2:34]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:82750
chebi:82750
XHRPOTDGOASDJS-XNTGVSEISA-N 		cholesteryl octadecanoate
(3beta)-cholest-5-en-3-yl octadecanoate
18:0 Cholesteryl ester
3beta-octadecanoyloxycholest-5-ene
CE(18:0)
Cholest-5-en-3-beta-yl octadecanoate
Cholest-5-en-3-beta-yl stearate
Cholesterol stearate
Cholesteryl octadecanoate
Cholestryl stearate
cholest-5-en-3beta-yl octadecanoate
cholest-5-en-3beta-yl stearate
cholesterol stearate
cholesteryl stearate

lipidmaps:LMST01020007
lipidmapsM:LMST01020007
XHRPOTDGOASDJS-XNTGVSEISA-N 		18:0 Cholesterol ester
CE 18:0
CE(18:0)
cholest-5-en-3beta-yl octadecanoate

bigg.metabolite:HC02022
biggM:HC02022
XHRPOTDGOASDJS-XNTGVSEISA-N 		Cholest-5-En-3Beta-Yl Octadecanoate

sabiork.compound:27190
sabiorkM:27190
XHRPOTDGOASDJS-XNTGVSEISA-N 		Cholesteryl stearate

vmhM:HC02022
vmhmetabolite:HC02022
XHRPOTDGOASDJS-XNTGVSEISA-N 		cholest-5-en-3beta-yl octadecanoate
(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 octadecanoate
hmdb:HMDB0062461
XHRPOTDGOASDJS-XNTGVSEISA-N 		cholest-5-en-3beta-yl octadecanoate
(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 octadecanoate
18:0 Cholesteryl ester
3b-Octadecanoyloxycholest-5-ene
3beta-Octadecanoyloxycholest-5-ene
3beta-octadecanoyloxycholest-5-ene
CE(18:0)
Cholest-5-en-3-b-yl octadecanoate
Cholest-5-en-3-b-yl octadecanoic acid
Cholest-5-en-3-b-yl stearate
Cholest-5-en-3-b-yl stearic acid
Cholest-5-en-3-beta-yl octadecanoate
Cholest-5-en-3-beta-yl octadecanoic acid
Cholest-5-en-3-beta-yl stearate
Cholest-5-en-3-beta-yl stearic acid
Cholest-5-en-3b-yl octadecanoate
Cholest-5-en-3b-yl octadecanoic acid
Cholest-5-en-3b-yl stearate
Cholest-5-en-3b-yl stearic acid
Cholest-5-en-3beta-yl octadecanoate
Cholest-5-en-3beta-yl octadecanoic acid
Cholest-5-en-3beta-yl stearate
Cholest-5-en-3beta-yl stearic acid
Cholesterol stearate
Cholesterol stearic acid
Cholesteryl octadecanoate
Cholesteryl octadecanoic acid
Cholesteryl stearic acid
Cholestryl stearate
Cholestryl stearic acid

metacyc.compound:CPD-21822
metacycM:CPD-21822
XHRPOTDGOASDJS-XNTGVSEISA-N 		cholesteryl stearate
(3beta)-cholest-5-en-3-yl octadecanoate
18:0 cholesteryl ester
CE(18:0)
cholesterol stearate
cholesteryl octadecanoate

SLM:000500276
slm:000500276
XHRPOTDGOASDJS-XNTGVSEISA-N 		octadecanoyl-cholesterol
CE(18:0)
Cholesteryl ester (18:0)
Cholesteryl octadecanoate

hmdb:HMDB62461
biggM:M_HC02022
vmhM:M_HC02022 		secondary/obsolete/fantasy identifier