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(24S)-7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM30754

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

formula

C₂₇H₄₆O₄

charge

mass

434.33961

reference

chebi:63830

InChIKey

OESDJUYDQFBVDE-ZFUXDIRQSA-N

InChI

InChI=1S/C27H46O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-17,19-25,29-31H,6-14H2,1-5H3/t16-,17+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

SMILES

CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193707 reactomeM:R-ALL-193707 CHEBI:63830 chebi:63830	(24S)-7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one 5beta-cholestan-7alpha,12alpha,24(S)-triol-3-one
lipidmaps:LMST04030172 lipidmapsM:LMST04030172	7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one 5beta-cholestan-7alpha,12alpha,24-triol-3-one 7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one O4 ST 27:1
CHEBI:48715 chebi:48715	7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one 5beta-cholestan-7alpha,12alpha,24-triol-3-one 7alpha,24-dihydroxy-5beta-cholestan-3-one