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cholesteryl acetate

MNXM1108244 is deprecated and replaced by MNXM1108243
PropertiesImage
MNX_IDMNXM1108243 Image of MNXM1108243
referencechebi:78242
formulaC29H48O2
global charge0
mol weight428.701
InChIKeyXUGISPSHIFXEHZ-VEVYEIKRSA-N
InChIInChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILESCC(=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/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 Image of MNXM1108243
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C@@H:24]3[CH2:11][CH:10]=[C:22]4[CH2:18][C@@H:23]([O:31][C:21]([CH3:4])=[O:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:27]3[CH2:15][CH2:17][C@:29]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78242
chebi:78242
XUGISPSHIFXEHZ-VEVYEIKRSA-N 		cholesteryl acetate
(-)-Cholesteryl acetate
(3beta)-cholest-5-en-3-ol acetate
(3beta)-cholest-5-en-3-yl acetate
3-Cholesteryl acetate
3beta-Acetoxycholest-5-ene
3beta-acetoxycholest-5-ene
5-cholesten-3beta-ol acetate
Cholest-5-en-3beta-ol acetate
Cholest-5-en-3beta-yl acetate
Cholesterol 3-acetate
Cholesterol acetate
cholest-5-en-3beta-ol acetate
cholest-5-en-3beta-yl acetate
cholesterol 3beta-acetate

sabiork.compound:27192
sabiorkM:27192
XUGISPSHIFXEHZ-VEVYEIKRSA-N 		Cholesteryl acetate
hmdb:HMDB0003822
XUGISPSHIFXEHZ-VEVYEIKRSA-N 		Cholesteryl acetate
(-)-Cholesteryl acetate
(-)-Cholesteryl acetic acid
(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 acetate
(3b)-Cholest-5-en-3-ol acetate
(3b)-Cholest-5-en-3-ol acetic acid
(3beta)-Cholest-5-en-3-ol acetate
(3beta)-Cholest-5-en-3-ol acetic acid
(3beta)-cholest-5-en-3-ol acetate
(3beta)-cholest-5-en-3-ol acetic acid
3-Cholesteryl acetate
3-Cholesteryl acetic acid
3b-Acetoxycholest-5-ene
3beta-Acetoxycholest-5-ene
3beta-acetoxycholest-5-ene
5-Cholesten-3b-ol acetate
5-Cholesten-3b-ol acetic acid
5-Cholesten-3beta-ol acetate
5-Cholesten-3beta-ol acetic acid
Cholest-5-en-3b-ol acetate
Cholest-5-en-3b-ol acetic acid
Cholest-5-en-3b-yl acetate
Cholest-5-en-3b-yl acetic acid
Cholest-5-en-3beta-ol acetate
Cholest-5-en-3beta-ol acetic acid
Cholest-5-en-3beta-yl acetate
Cholest-5-en-3beta-yl acetic acid
Cholesterin acetate
Cholesterol 3-acetate
Cholesterol 3-acetic acid
Cholesterol 3b-acetate
Cholesterol 3b-acetic acid
Cholesterol 3beta-acetate
Cholesterol 3beta-acetic acid
Cholesterol acetate
Cholesterol acetic acid
Cholesteryl acetic acid

lipidmaps:LMST01010245
lipidmapsM:LMST01010245
XUGISPSHIFXEHZ-VEVYEIKRSA-N 		Cholesteryl acetate
3beta-acetoxycholest-5-ene
O2
ST 29:2

SLM:000500251
slm:000500251
XUGISPSHIFXEHZ-VEVYEIKRSA-N 		acetyl-cholesterol
CE(2:0)
Cholesteryl acetate
Cholesteryl ester (2:0)

metacyc.compound:CPD-25875
metacycM:CPD-25875
XUGISPSHIFXEHZ-VEVYEIKRSA-N 		cholesteryl acetate
(-)-cholesteryl acetate
(3beta)-cholest-5-en-3-ol acetate
(3beta)-cholest-5-en-3-yl acetate
3-cholesteryl acetate
3beta-acetoxycholest-5-ene
5-cholesten-3beta-ol acetate
cholest-5-en-3beta-ol acetate
cholest-5-en-3beta-yl acetate
cholesterol 3-acetate
cholesterol 3beta-acetate
cholesterol acetate

hmdb:HMDB03822 		secondary/obsolete/fantasy identifier