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5b-Cholestane-3a,7a,12a,25,26-pentol

MNXM164360 is deprecated and here replaced by MNXM1103387
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103387 Image of MNXM1103387
referencechebi:172124
formulaC27H48O5
global charge0
mol weight452.676
InChIKeyXZDHXPDYLPEFQI-FIMPYCPFSA-N
InChIInChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
SMILESC[C@H](CCCC(C)(O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1 Image of MNXM1103387
SMILES (mnx)[CH3:1][C@H:16]([CH2:6][CH2:5][CH2:10][C:25]([CH3:2])([CH2:15][OH:28])[OH:32])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@H:24]3[C@H:21]([CH2:14][C@H:23]([OH:31])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:11][CH2:9][C@@H:18]([OH:29])[CH2:12][C@H:17]1[CH2:13][C@H:22]3[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172124
chebi:172124
XZDHXPDYLPEFQI-FIMPYCPFSA-N 		5b-Cholestane-3a,7a,12a,25,26-pentol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
hmdb:HMDB0002180
XZDHXPDYLPEFQI-FIMPYCPFSA-N 		5b-Cholestane-3a,7a,12a,25,26-pentol
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol
3alpha,7alpha,12alpha,25,27-Pentahydroxy-5beta-cholestane
5 beta-Bufol
5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
5beta-cholestane-3alpha,7alpha,12alpha,25,26-pentol
Cholestane-3,7,12,25,26-pentol

CHEBI:194331
chebi:194331
XZDHXPDYLPEFQI-FIMPYCPFSA-N 		5beta-bufol
(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
5beta-cholestane-3alpha,7alpha,12alpha,25,26-pentol

lipidmaps:LMST04030016
lipidmapsM:LMST04030016
XZDHXPDYLPEFQI-FIMPYCPFSA-N 		5beta-bufol
5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
O5
ST 27:0

bigg.metabolite:CE1278
biggM:CE1278
XZDHXPDYLPEFQI-FIMPYCPFSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,25,27-pentol

vmhM:CE1278
vmhmetabolite:CE1278
XZDHXPDYLPEFQI-DJYQAZAFSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,25,27-pentol
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol

hmdb:HMDB02180
biggM:M_CE1278
vmhM:M_CE1278 		secondary/obsolete/fantasy identifier