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cholesteryl hexadecanoate

PropertiesImage
MNX_IDMNXM730833 Image of MNXM730833
referencechebi:3663
formulaC43H76O2
global charge0
mol weight625.079
InChIKeyBBJQPKLGPMQWBU-JADYGXMDSA-N
InChIInChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
SMILESCCCCCCCCCCCCCCCC(=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/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 Image of MNXM730833
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][CH2:23][C:41](=[O:44])[O:45][C@H:36]1[CH2:28][CH2:30][C@@:42]2([CH3:5])[C:35](=[CH:24][CH2:25][C@H:37]3[C@@H:39]4[CH2:27][CH2:26][C@H:38]([C@H:34]([CH3:4])[CH2:22][CH2:20][CH2:21][CH:33]([CH3:2])[CH3:3])[C@@:43]4([CH3:6])[CH2:31][CH2:29][C@@H:40]32)[CH2:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3663
chebi:3663
BBJQPKLGPMQWBU-JADYGXMDSA-N 		cholesteryl hexadecanoate
(3beta)-cholest-5-en-3-ol hexadecanoate
(3beta)-cholest-5-en-3-yl hexadecanoate
16:0 Cholesterol ester
CE
CE(16:0)
Cholesteryl palmitate
Palmitic acid cholesteryl ester
cholesterol palmitate
cholesteryl palmitate
hexadecanoic acid, cholesteryl ester

lipidmaps:LMST01020005
lipidmapsM:LMST01020005
BBJQPKLGPMQWBU-JADYGXMDSA-N 		16:0 Cholesterol ester
CE 16:0
CE(16:0)
cholest-5-en-3beta-yl hexadecanoate
hmdb:HMDB0000885
BBJQPKLGPMQWBU-JADYGXMDSA-N 		CE(16:0)
(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 hexadecanoate
(3b)-Cholest-5-en-3-ol hexadecanoate
(3b)-Cholest-5-en-3-ol hexadecanoic acid
(3beta)-Cholest-5-en-3-ol hexadecanoate
(3beta)-Cholest-5-en-3-ol hexadecanoic acid
(3beta)-cholest-5-en-3-ol hexadecanoate
(3beta)-cholest-5-en-3-ol hexadecanoic acid
1-Hexadecanoyl-cholesterol
1-Palmitoyl-cholesterol
16:0 Cholesterol ester
5-Cholesten-3beta-ol stearate
CE
CE(16:0/0:0)
Cholest-5-en-3-yl palmitate
Cholest-5-en-3beta-ol stearate
Cholest-5-ene-3-beta-yl palmitate
Cholesterol 1-hexadecanoate
Cholesterol 1-hexadecanoic acid
Cholesterol 1-palmitoate
Cholesterol 1-palmitoic acid
Cholesterol ester(16:0)
Cholesterol ester(16:0/0:0)
Cholesterol hexadecanoate
Cholesterol palmitate
Cholesterol palmitic acid
Cholesteryl 1-hexadecanoate
Cholesteryl 1-hexadecanoic acid
Cholesteryl 1-palmitoate
Cholesteryl 1-palmitoic acid
Cholesteryl hexadecanoate
Cholesteryl hexadecanoic acid
Cholesteryl palmitate
Cholesteryl palmitic acid
Hexadecanoate
Hexadecanoate, cholesteryl ester
Hexadecanoic acid
Hexadecanoic acid cholesteryl ester
Hexadecanoic acid, cholesteryl ester
Palmitate cholesteryl ester
Palmitic acid cholesteryl ester

bigg.metabolite:HC02020
biggM:HC02020
BBJQPKLGPMQWBU-JADYGXMDSA-N 		Cholesterol-ester-palm

vmhM:HC02020
vmhmetabolite:HC02020
BBJQPKLGPMQWBU-JADYGXMDSA-N 		Cholesterol-ester-palm
(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 hexadecanoate

seed.compound:cpd08114
seedM:cpd08114
sabiork.compound:13323
sabiorkM:13323
kegg.compound:C11251
keggC:C11251
BBJQPKLGPMQWBU-JADYGXMDSA-N 		Cholesteryl palmitate

metacyc.compound:CPD-21814
metacycM:CPD-21814
BBJQPKLGPMQWBU-JADYGXMDSA-N 		cholesteryl palmitate
(3beta)-cholest-5-en-3-yl hexadecanoate
cholesterol palmitate
cholesteryl hexadecanoate

SLM:000389778
slm:000389778
BBJQPKLGPMQWBU-JADYGXMDSA-N 		hexadecanoyl-cholesterol
CE(16:0)
Cholesteryl ester (16:0)
Cholesteryl hexadecanoate

hmdb:HMDB0005188
hmdb:HMDB00885
hmdb:HMDB05188
chebi:84319
biggM:M_HC02020
keggC:M_C11251
seedM:M_cpd08114
vmhM:M_HC02020 		secondary/obsolete/fantasy identifier