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5alpha-cholestane-3beta,5,6beta-triol

PropertiesImage
MNX_IDMNXM2201 Image of MNXM2201
referencechebi:28082
formulaC27H48O3
global charge0
mol weight420.678
InChIKeyYMMFNKXZULYSOQ-RUXQDQFYSA-N
InChIInChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1 Image of MNXM2201
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C@@H:20]3[CH2:15][C@@H:24]([OH:29])[C@@:27]4([OH:30])[CH2:16][C@@H:19]([OH:28])[CH2:11][CH2:14][C@:26]4([CH3:5])[C@H:23]3[CH2:12][CH2:13][C@:25]12[CH3:4]
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:28082
chebi:28082
YMMFNKXZULYSOQ-RUXQDQFYSA-N 		5alpha-cholestane-3beta,5,6beta-triol
3beta,5alpha,6beta-Cholestanetriol
3beta,5alpha,6beta-Trihydroxycholestane
Cholestane-3-beta,5-alpha,6-beta-triol
Cholestane-3beta-5alpha,6beta-triol
hmdb:HMDB0003990
YMMFNKXZULYSOQ-RUXQDQFYSA-N 		3b,5a,6b-Cholestanetriol
(1S,2R,5S,7R,8R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,7,8-triol
1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine
1-Palmitoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine
1-Palmitoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion
2-Ammonioethyl (2R)-3-(palmitoyloxy)-2-(stearoyloxy)propyl phosphate
2-Ammonioethyl (2R)-3-(palmitoyloxy)-2-(stearoyloxy)propyl phosphoric acid
3b,5a,6b-Trihydroxycholestane
3beta,5alpha,6beta-Cholestanetriol
3beta,5alpha,6beta-Trihydroxycholestane
3beta,5alpha,6beta-cholestanetriol
3beta,5alpha,6beta-trihydroxycholestane
5-alpha,6-beta-Dihydroxycholestanol
5a,6b-Dihydroxycholestanol
5alpha,6beta-Dihydroxycholestanol
5alpha,6beta-dihydroxycholestanol
5alpha-Cholestane-3beta,5,6beta-triol
CT
Cholesta-3beta,5alpha,6beta-triol
Cholestane-3 beta,5 alpha,6 beta-triol
Cholestane-3,5,6-triol
Cholestane-3,5,6-triol, (3beta)-isomer
Cholestane-3,5,6-triol, (3beta, 5alpha, 6alpha)-isomer
Cholestane-3,5,6-triol, (3beta, 5alpha, 6beta)-isomer
Cholestane-3,5,6-triol, (3beta, 5beta, 6beta)-isomer
Cholestane-3,5,6-triol, (3beta, 6beta)-isomer
Cholestane-3-b,5-a,6-b-triol
Cholestane-3-beta,5-alpha,6-beta-triol
Cholestane-3b-5a,6b-triol
Cholestane-3beta,5alpha,6beta-triol
Cholestane-3beta-5alpha,6beta-triol
GPEtn(16:0/18:0)
GPEtn(34:0)
PE(34:0)
Phophatidylethanolamine(16:0/18:0)
Phophatidylethanolamine(34:0)
cholestane-3beta,5alpha,6beta-triol

kegg.compound:C05425
keggC:C05425
YMMFNKXZULYSOQ-RUXQDQFYSA-N 		3beta,5alpha,6beta-Cholestanetriol
Cholestane-3beta-5alpha,6beta-triol

seed.compound:cpd03213
seedM:cpd03213
YMMFNKXZULYSOQ-RUXQDQFYSA-N 		3beta,5alpha,6beta-Cholestanetriol
Cholestane-3beta-5alpha,6beta-triol
cholestane-3-beta-5-alpha,6-beta-triol

lipidmaps:LMST01010052
lipidmapsM:LMST01010052
YMMFNKXZULYSOQ-RUXQDQFYSA-N 		5alpha,6beta-dihydroxycholestanol
O3
ST 27:0
cholestane-3beta,5alpha,6beta-triol

metacyc.compound:CPD-8896
metacycM:CPD-8896
YMMFNKXZULYSOQ-RUXQDQFYSA-N 		cholestane-3-beta-5-alpha,6-beta-triol
3beta,5alpha,6beta-Cholestanetriol

hmdb:HMDB03990
chebi:1717
chebi:20241
keggC:M_C05425
seedM:M_cpd03213 		secondary/obsolete/fantasy identifier