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6beta-hydroxylithocholate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4420

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

formula

C₂₄H₃₉O₄

charge

-1

mass

391.28538

reference

chebi:58876

InChIKey

DGABKXLVXPYZII-PLYQRAMGSA-M

InChI

InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,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]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58876 chebi:58876	6beta-hydroxylithocholate (3alpha,5beta,6beta)-3,6-dihydroxycholan-24-oate 3alpha,6beta-dihydroxycholan-24-oate murideoxycholate murideoxycholate anion
metacyc.compound:CPD-7236 metacycM:CPD-7236	6-beta-hydroxylithocholate 3-alpha-6-beta-hydroxy-5-beta-cholan-24-oate murideoxycholate
seed.compound:cpd11195 seedM:cpd11195	Murideoxycholic acid 3-alpha-6-beta-hydroxy-5-beta-cholan-24-oate 3alpha,6beta-Dihydroxy-5beta-cholanic acid 6-beta-hydroxylithocholate 6beta-Hydroxylithocholate Murideoxycholate murideoxycholate
lipidmaps:LMST04010025 lipidmapsM:LMST04010025	Murideoxycholic acid 3alpha,6beta-Dihydroxy-5beta-cholan-24-oic Acid O4 ST 24:1
kegg.compound:C15515 keggC:C15515	Murideoxycholic acid 3alpha,6beta-Dihydroxy-5beta-cholanic acid 6beta-Hydroxylithocholate Murideoxycholate
hmdb:HMDB0000811	Murocholic acid (4R)-4-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-5,8-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid 3,6-Dihydroxy-5alpha-cholanoic acid 3a,6b-Dihydroxy-5b-cholan-24-Oate 3a,6b-Dihydroxy-5b-cholan-24-Oic acid 3a,6b-Dihydroxy-5b-cholanate 3a,6b-Dihydroxy-5b-cholanic acid 3a,6b-Dihydroxy-5b-cholanoate 3a,6b-Dihydroxy-5b-cholanoic acid 3a,6b-Dihydroxycholanoate 3a,6b-Dihydroxycholanoic acid 3alpha,6beta-Dihydroxy-5beta-cholanate 3alpha,6beta-Dihydroxy-5beta-cholanic acid 3alpha,6beta-dihydroxy-5beta-cholanate 3alpha,6beta-dihydroxy-5beta-cholanic acid 6b-Hydroxylithocholate 6b-Hydroxylithocholic acid 6beta-Hydroxylithocholate 6beta-Hydroxylithocholic acid 6beta-hydroxylithocholate 6beta-hydroxylithocholic acid Hyodeoxycholic acid Hyodeoxycholic acid, (3alpha,5beta,6beta)-isomer Hyodeoxycholic acid, (3alpha,6beta)-isomer Hyodeoxycholic acid, sodium salt Hyodesoxycholic acid Murideoxycholate Murideoxycholic acid Murocholate NaHDC compound Sodium hyodeoxycholate
CHEBI:52030 chebi:52030	murideoxycholic acid 3alpha,6beta-Dihydroxy-5beta-cholanic acid 3alpha,6beta-dihydroxycholan-24-oic acid 6beta-Hydroxylithocholate 6beta-hydroxylithocholic acid Murideoxycholate Murocholic acid
hmdb:HMDB00811 keggC:M_C15515 seedM:M_cpd11195	secondary/obsolete/fantasy identifier