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3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate

MNXM732609 is deprecated and replaced by MNXM732607

Properties

Image

Occurences in reactions

MNX_ID

MNXM732607

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₄H₃₇O₅

charge

-1

mass

405.26465

reference

chebi:11901

InChIKey

MIHNUBCEFJLAGN-DMMBONCOSA-M

InChI

InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=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
CHEBI:11901 chebi:11901	3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate
metacyc.compound:CPD-345 metacycM:CPD-345	12-dehydrocholate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate
hmdb:HMDB0000400	3,7-Dihydroxy-12-oxocholanoic acid (3a,5b,7a)-3,7-Dihydroxy-12-oxo-cholan-24-Oate (3a,5b,7a)-3,7-Dihydroxy-12-oxo-cholan-24-Oic acid (3a,5b,7a)-3,7-Dihydroxy-12-oxocholan-24-Oate (3a,5b,7a)-3,7-Dihydroxy-12-oxocholan-24-Oic acid (3alpha,5beta,7alpha)-3,7-Dihydroxy-12-oxocholan-24-Oate (3alpha,5beta,7alpha)-3,7-Dihydroxy-12-oxocholan-24-Oic acid (3alpha,5beta,7alpha)-3,7-dihydroxy-12-oxocholan-24-Oate (3alpha,5beta,7alpha)-3,7-dihydroxy-12-oxocholan-24-Oic acid (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-Dihydroxy-2,15-dimethyl-16-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyl-16-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid 12-Keto-3a,7a-dihydroxy-5b-cholanate 12-Keto-3a,7a-dihydroxy-5b-cholanic acid 12-Keto-chenodeoxycholate 12-Keto-chenodeoxycholic acid 12-Ketochenodeoxycholate 12-Ketochenodeoxycholic acid 12-Monoketocholate 12-Monoketocholic acid 12-Oxochenodeoxycholate 12-Oxochenodeoxycholic acid 12-ketochenodeoxycholic acid 12-oxo-3,7-Dihydroxycholanoic acid 12-oxo-3a,7a-Dihydroxy-5b-cholan-24-Oate 12-oxo-3a,7a-Dihydroxy-5b-cholan-24-Oic acid 3 alpha, 7 alpha-Dihydroxy-12-one-5 beta-cholanoic acid 3 alpha,7 alpha-Dihydroxy-12-keto-5 beta-cholanoic acid 3,7-Dihydroxy-12-oxocholanoate 3a,7a-Dihydroxy-12-keto-5b-cholanate 3a,7a-Dihydroxy-12-keto-5b-cholanic acid 3a,7a-Dihydroxy-12-ketocholanate 3a,7a-Dihydroxy-12-ketocholanic acid 3a,7a-Dihydroxy-12-ketocholate 3a,7a-Dihydroxy-12-ketocholic acid 3a,7a-Dihydroxy-12-oxo-5b-cholan-24-Oate 3a,7a-Dihydroxy-12-oxo-5b-cholan-24-Oic acid 3a,7a-Dihydroxy-12-oxo-5b-cholanate 3a,7a-Dihydroxy-12-oxo-5b-cholanic acid 3a,7a-Dihydroxy-12-oxo-5b-cholanoate 3a,7a-Dihydroxy-12-oxo-5b-cholanoic acid 3a,7a-Dihydroxy-12-oxocholate 3a,7a-Dihydroxy-12-oxocholic acid 3alpha,7alpha-Dihydroxy-12-keto-5beta-cholanoic acid 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanic acid 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid 5b-Cholanic acid-3a,7a-diol-12-one Sodium monoketocholate
lipidmaps:LMST04010176 lipidmapsM:LMST04010176	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid O5 ST 24:2
sabiork.compound:5509 sabiorkM:5509 kegg.compound:C01292 keggC:C01292	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
seed.compound:cpd00949 seedM:cpd00949	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate
CHEBI:16312 chebi:16312	3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid (3alpha,5beta,7alpha)-3,7-dihydroxy-12-oxocholan-24-oic acid 3,7-dihydroxy-12-oxocholanoic acid 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid
hmdb:HMDB00400 chebi:1703 chebi:20227 chebi:20228 chebi:57725 keggC:M_C01292 seedM:M_cpd00949	secondary/obsolete/fantasy identifier