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3alpha,7alpha-dihydroxy-5beta-cholestanoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107208

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	14

formula

C₂₇H₄₆O₄

charge

mass

434.33961

reference

chebi:16577

InChIKey

ITZYGDKGRKKBSN-HKFUITGCSA-N

InChI

InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193440 reactomeM:R-ALL-193440 reactome:R-ALL-193505 reactomeM:R-ALL-193505 CHEBI:16577 chebi:16577	3alpha,7alpha-dihydroxy-5beta-cholestanoic acid 3alpha,7alpha-Dihydroxy-5beta-cholestanate 3alpha,7alpha-Dihydroxy-5beta-cholestanoate 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha-dihydroxy-5beta-cholestanic acid
lipidmaps:LMST04030066 lipidmapsM:LMST04030066	3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid O4 ST 27:1
bigg.metabolite:dhcholestanate biggM:dhcholestanate	3alpha,7alpha-Dihydroxy-5beta-cholestanate
hmdb:HMDB0000359	3alpha,7alpha-Dihydroxycoprostanic acid (3a,5b,7a)-3,7-Dihydroxycholestan-26-Oic acid (3alpha,5beta,7alpha)-3,7-Dihydroxycholestan-26-Oic acid (3alpha,5beta,7alpha)-3,7-dihydroxycholestan-26-Oic acid (6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylheptanoic acid 3a,7a-Dihydroxy-5b-cholestan-26-Oate 3a,7a-Dihydroxy-5b-cholestan-26-Oic acid 3a,7a-Dihydroxy-5b-cholestanate 3a,7a-Dihydroxy-5b-cholestanic acid 3a,7a-Dihydroxy-5b-cholestanoate 3a,7a-Dihydroxy-5b-cholestanoic acid 3a,7a-Dihydroxycoprostanate 3a,7a-Dihydroxycoprostanic acid 3a,7a-Hydroxy-5b-cholestan-26-Oate 3a,7a-Hydroxy-5b-cholestan-26-Oic acid 3a,7a-Hydroxy-5beta-cholestan-26-Oic acid 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oate 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oic acid 3alpha,7alpha-Dihydroxy-5beta-cholestanate 3alpha,7alpha-Dihydroxy-5beta-cholestanic acid 3alpha,7alpha-Dihydroxy-5beta-cholestanoate 3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid 3alpha,7alpha-Dihydroxycoprostanate 3alpha,7alpha-Hydroxy-5beta-cholestan-26-Oic acid 3alpha,7alpha-dihydroxy-5beta-cholestan-26-Oate 3alpha,7alpha-dihydroxy-5beta-cholestan-26-Oic acid 3alpha,7alpha-dihydroxy-5beta-cholestanate 3alpha,7alpha-dihydroxy-5beta-cholestanic acid 3alpha,7alpha-dihydroxy-5beta-cholestanoate 3alpha,7alpha-dihydroxy-5beta-cholestanoic acid 3alpha,7alpha-dihydroxycoprostanate 3alpha,7alpha-dihydroxycoprostanic acid 3alpha,7alpha-hydroxy-5beta-cholestan-26-Oic acid
hmdb:HMDB0001974 hmdb:HMDB00359 hmdb:HMDB01974 chebi:11902 chebi:1707 chebi:20232 biggM:M_dhcholestanate	secondary/obsolete/fantasy identifier