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

MNXM164360 is deprecated and here replaced by MNXM1103387
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103387

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₂₇H₄₈O₅

charge

mass

452.35017

reference

chebi:172124

InChIKey

XZDHXPDYLPEFQI-FIMPYCPFSA-N

InChI

InChI=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

SMILES

C[C@H](CCCC(C)(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172124 chebi:172124	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	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
lipidmaps:LMST04030016 lipidmapsM:LMST04030016	5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol O5 ST 27:0
bigg.metabolite:CE1278 biggM:CE1278	5beta-cholestane-3alpha,7alpha,12alpha,25,27-pentol
hmdb:HMDB02180 biggM:M_CE1278	secondary/obsolete/fantasy identifier