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1beta-hydroxydeoxycholate

Properties

Image

Occurences in reactions

MNX_ID

MNXM26669

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

formula

C₂₄H₃₉O₅

charge

-1

mass

407.2803

reference

chebi:134124

InChIKey

DAKYVYUAVGJDRK-FPUZENINSA-M

InChI

InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134124 chebi:134124	1beta-hydroxydeoxycholate (1beta,3alpha,5beta,12alpha)-1,3,12-trihydroxycholan-24-oate 1beta,3alpha,12alpha-trihydroxy-5beta-cholan-24-oate
lipidmaps:LMST04010063 lipidmapsM:LMST04010063	1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid O5 ST 24:1
CHEBI:136724 chebi:136724	1beta-hydroxydeoxycholic acid (1beta,3alpha,5beta,12alpha)-1,3,12-trihydroxycholan-24-oic acid 1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid 1beta,3alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid 1beta,3alpha,2alpha-Trihydroxy-5beta-cholanoic acid 1beta-Hydroxydeoxycholic acid 1beta-OH-deoxycholic acid