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isolithocholate

Properties

Image

Occurences in reactions

MNX_ID

MNXM162429

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

formula

C₂₄H₃₉O₃

charge

-1

mass

375.29047

reference

chebi:87728

InChIKey

SMEROWZSTRWXGI-WFVDQZAMSA-M

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,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)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:87728 chebi:87728	isolithocholate (3beta,5beta)-3-hydroxycholan-24-oate 3beta-hydroxy-5beta-cholan-24-oate 3beta-lithocholate
sabiork.compound:24990 sabiorkM:24990	3beta-Hydroxy-5beta-cholanate
seed.compound:cpd17773 seedM:cpd17773	Isolithocholate 3-Epilithocholic acid 3-beta-hydroxy-5-beta-cholan-24-oate 3-beta-hydroxy-5-beta-cholanate 3-beta-hydroxycholanic acid 3beta-Hydroxy-5beta-cholan-24-oic acid Isolithocholic acid beta-Lithocholanic acid beta-Lithocholic acid isolithocholate isolithocolic acid
kegg.compound:C17658 keggC:C17658	Isolithocholate 3-Epilithocholic acid 3beta-Hydroxy-5beta-cholan-24-oic acid Isolithocholic acid beta-Lithocholanic acid beta-Lithocholic acid
hmdb:HMDB0000717	Isolithocholic acid (3b,5b)-3-Hydroxycholan-24-Oate (3b,5b)-3-Hydroxycholan-24-Oic acid (3beta,5beta)-3-Hydroxycholan-24-Oate (3beta,5beta)-3-Hydroxycholan-24-Oic acid (3beta,5beta)-3-hydroxycholan-24-Oate (3beta,5beta)-3-hydroxycholan-24-Oic acid (4R)-4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid 3-Epilithocholate 3-Epilithocholic acid 3b-Hydroxy-5b-cholan-24-Oate 3b-Hydroxy-5b-cholan-24-Oic acid 3b-Hydroxy-5b-cholanate 3b-Hydroxy-5b-cholanic acid 3b-Hydroxy-5b-cholanoate 3b-Hydroxy-5b-cholanoic acid 3b-Lithocholate 3b-Lithocholic acid 3beta-Hydroxy-5beta-cholan-24-Oate 3beta-Hydroxy-5beta-cholan-24-Oic acid 3beta-Lithocholate 3beta-Lithocholic acid 3beta-hydroxy-5beta-cholan-24-Oate 3beta-hydroxy-5beta-cholan-24-Oic acid 3beta-lithocholate 3beta-lithocholic acid 5b-Cholanic acid-3b-ol Acid, isolithocholic Acid, lithocholic Isolithocholate Lithocholate Lithocholic acid b-Lithocholanate b-Lithocholanic acid b-Lithocholate b-Lithocholic acid beta-Lithocholanate beta-Lithocholanic acid beta-Lithocholate beta-Lithocholic acid beta-lithocholanate beta-lithocholanic acid beta-lithocholate beta-lithocholic acid
lipidmaps:LMST04010004 lipidmapsM:LMST04010004	Isolithocholic acid 3beta-Hydroxy-5beta-cholan-24-oic Acid O3 ST 24:1
SLM:000501082 slm:000501082	isolithocholate
metacyc.compound:CPD-18797 metacycM:CPD-18797	isolithocholate 3-beta-hydroxy-5-beta-cholan-24-oate 3-beta-hydroxy-5-beta-cholanate 3-beta-hydroxycholanic acid isolithocolic acid
CHEBI:81253 chebi:81253	isolithocholic acid (3beta,5beta)-3-Hydroxycholan-24-oic acid (3beta,5beta)-3-hydroxycholan-24-oic acid 3-Epilithocholic acid 3beta-Hydroxy-5beta-cholan-24-oic acid 3beta-hydroxy-5beta-cholan-24-oic acid 3beta-lithocholic acid beta-Lithocholanic acid beta-Lithocholic acid
hmdb:HMDB00717 chebi:88092 keggC:M_C17658 seedM:M_cpd17773	secondary/obsolete/fantasy identifier