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

MNXM734598 is deprecated and replaced by MNXM1092863

Properties

Image

Occurences in reactions

MNX_ID

MNXM1092863

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₂₄H₃₇O₅

charge

-1

mass

405.26465

reference

chebi:11893

InChIKey

RHCPKKNRWFXMAT-RRWYKFPJSA-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/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[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:11893 chebi:11893	3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate
bigg.metabolite:dhcholn biggM:dhcholn	3?,12?-dihydroxy-7-oxo-5?-cholan-24-oate
lipidmaps:LMST04010184 lipidmapsM:LMST04010184	3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid O5 ST 24:2
seed.compound:cpd02829 seedM:cpd02829	3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
sabiork.compound:7460 sabiorkM:7460	3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate 7-Oxodeoxycholic acid
metacyc.compound:CHOLANATE2 metacycM:CHOLANATE2	3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
SLM:000001061 slm:000001061	3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
CHEBI:16390 chebi:16390	3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid (3alpha,5beta,12alpha)-3,12-dihydroxy-7-oxocholan-24-oic acid 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate 3alpha,12alpha-dihydroxy-7-keto-5beta-cholanoic acid 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid 3alpha,12alpha-diol-7-one-5beta-cholanoic acid 7-ketodeoxycholic acid 7-oxodeoxycholic acid
hmdb:HMDB0000391	7-Ketodeoxycholic acid (3a,5b,12a)-3,12-Dihydroxy-7-oxo-cholan-24-Oate (3a,5b,12a)-3,12-Dihydroxy-7-oxo-cholan-24-Oic acid (3a,5b,12a)-3,12-Dihydroxy-7-oxocholan-24-Oate (3a,5b,12a)-3,12-Dihydroxy-7-oxocholan-24-Oic acid (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-Oate (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-Oic acid (3alpha,5beta,12alpha)-3,12-dihydroxy-7-oxocholan-24-Oate (3alpha,5beta,12alpha)-3,12-dihydroxy-7-oxocholan-24-Oic acid (4R)-4-[(1S,2S,5R,7S,10R,11S,14R,15R,16S)-5,16-Dihydroxy-2,15-dimethyl-9-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate (4R)-4-[(1S,2S,5R,7S,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyl-9-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid 3 alpha,12 alpha-Diol-7-one-5 beta-cholanoate 3 alpha,12 alpha-Diol-7-one-5 beta-cholanoic acid 3 alpha,7 alpha-Dihydroxy-7-keto-5 beta-cholanoate 3 alpha,7 alpha-Dihydroxy-7-keto-5 beta-cholanoic acid 3a,12a-Dihydroxy-7-keto-5b-cholanoate 3a,12a-Dihydroxy-7-keto-5b-cholanoic acid 3a,12a-Dihydroxy-7-oxo-5b-cholan-24-Oate 3a,12a-Dihydroxy-7-oxo-5b-cholan-24-Oic acid 3a,12a-Dihydroxy-7-oxo-5b-cholanate 3a,12a-Dihydroxy-7-oxo-5b-cholanic acid 3a,12a-Diol-7-one-5b-cholanoate 3a,12a-Diol-7-one-5b-cholanoic acid 3alpha,12alpha-Dihydroxy-7-keto-5beta-cholanoate 3alpha,12alpha-Dihydroxy-7-keto-5beta-cholanoic acid 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanic acid 3alpha,12alpha-Diol-7-one-5beta-cholanoate 3alpha,12alpha-Diol-7-one-5beta-cholanoic acid 3alpha,12alpha-dihydroxy-7-keto-5beta-cholanoate 3alpha,12alpha-dihydroxy-7-keto-5beta-cholanoic acid 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid 3alpha,12alpha-diol-7-one-5beta-cholanoate 3alpha,12alpha-diol-7-one-5beta-cholanoic acid 7-Ketodeoxycholate 7-Ketodeoxycholic acid, (3alpha,12alpha)-isomer 7-Oxodeoxycholate 7-Oxodeoxycholic acid 7-ketodeoxycholic acid
kegg.compound:C04643 keggC:C04643	7-Oxodeoxycholate 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oate 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanoate 7-Ketocholate
hmdb:HMDB00391 chebi:1688 chebi:20209 chebi:20210 biggM:M_dhcholn keggC:M_C04643 seedM:M_cpd02829	secondary/obsolete/fantasy identifier