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5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol

MNXM28106 is deprecated and here replaced by MNXM1103020
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103020

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

formula

C₂₇H₄₈O₅

charge

mass

452.35017

reference

biggM:CE1277

InChIKey

OXSBBBPDYVCAKC-JZXYSUIZSA-N

InChI

InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

SMILES

C[C@H](CC(O)CC(C)(C)O)[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
bigg.metabolite:CE1277 biggM:CE1277	5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol
lipidmaps:LMST04030038 lipidmapsM:LMST04030038	5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol O5 ST 27:0
hmdb:HMDB0062421	5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol (1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,9,16-triol 5b-Cholestane-3a,7a,12a,23,25-pentol
hmdb:HMDB62421 biggM:M_CE1277	secondary/obsolete/fantasy identifier