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Cholestane-3,7,12,24,25-pentol

PropertiesImage
MNX_IDMNXM1105771 Image of MNXM1105771
referencechebi:172123
formulaC27H48O5
global charge0
mol weight452.676
InChIKeyNHPWQASMMFUHIZ-YBMOUMCLSA-N
InChIInChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
SMILESC[C@H](CC[C@H](O)C(C)(C)O)[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/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1 Image of MNXM1105771
SMILES (mnx)[CH3:1][C@H:15]([CH2:6][CH2:9][C@@H:22]([C:25]([CH3:2])([CH3:3])[OH:32])[OH:30])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@H:24]3[C@H:20]([CH2:14][C@H:23]([OH:31])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:11][CH2:10][C@@H:17]([OH:28])[CH2:12][C@H:16]1[CH2:13][C@H:21]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172123
chebi:172123
NHPWQASMMFUHIZ-YBMOUMCLSA-N 		Cholestane-3,7,12,24,25-pentol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-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:HMDB0000556
NHPWQASMMFUHIZ-OOOZRTEJSA-N 		5b-Cholestane-3a,7a,12a,24,25-pentol
(1S,2S,5R,9R,10R,11S,14R,15R,16S)-14-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,9,16-triol
3a,7a,12a,24,25-Pentahydroxycoprostane
3alpha,7alpha,12alpha,24R,25-Pentahydroxy-5beta-cholestane
5b-Cholestane-3a,7a,12a,24R,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24R,25-pentol
5beta-cholestane-3alpha,7alpha,12alpha,24R,25-pentol

CHEBI:172126
chebi:172126
NHPWQASMMFUHIZ-OOOZRTEJSA-N 		5b-Cholestane-3a,7a,12a,24,25-pentol
(3R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,6-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

bigg.metabolite:CE1279
biggM:CE1279
NHPWQASMMFUHIZ-OOOZRTEJSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,24R,25-pentol

vmhM:CE1279
vmhmetabolite:CE1279
NHPWQASMMFUHIZ-NGBRZVSZSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,24R,25-pentol
(1S,2S,5R,9R,10R,11S,14R,15R,16S)-14-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,9,16-triol

bigg.metabolite:CE1273
biggM:CE1273
NHPWQASMMFUHIZ-YBMOUMCLSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,24S,25-pentol

vmhM:CE1273
vmhmetabolite:CE1273
NHPWQASMMFUHIZ-KHGJHHBHSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,24S,25-pentol
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol
hmdb:HMDB0002208
NHPWQASMMFUHIZ-YBMOUMCLSA-N 		Cholestane-3,7,12,24,25-pentol
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol
3alpha,7alpha,12alpha,24S,25-Pentahydroxy-5beta-cholestane
5-beta-Cholestane-3 alpha,7 alpha,12 alpha,24 beta,25-pentol
5-beta-Cholestane-3alpha,7alpha,12alpha,24beta,25-pentol
5beta-Cholestane-3alpha,7alpha,12alpha,24S,25-pentol

hmdb:HMDB00556
hmdb:HMDB02208
biggM:M_CE1273
biggM:M_CE1279
vmhM:M_CE1273
vmhM:M_CE1279 		secondary/obsolete/fantasy identifier