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glycochenodeoxycholate 7-sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4600

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

formula

C₂₆H₄₁NO₈S

charge

-2

mass

527.25639

reference

chebi:58877

InChIKey

GLYPHOJMMLQNJQ-GYPHWSFCSA-L

InChI

InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)35-36(32,33)34/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/p-2/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58877 chebi:58877	glycochenodeoxycholate 7-sulfate N-[3alpha-hydroxy-24-oxo-7alpha-(sulfonatooxy)-5beta-cholan-24-yl]glycinate glycochenodeoxycholate 7-sulfate(2-) glycochenodeoxycholate sulfate
kegg.compound:C15559 keggC:C15559	Glycochenodeoxycholate 7-sulfate
seed.compound:cpd11227 seedM:cpd11227	Glycochenodeoxycholate 7-sulfate glycochenodeoxycholate 7-sulfate
hmdb:HMDB0002496	N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyl-9-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido]acetic acid Glycochenodeoxycholate 7-sulfate Glycochenodeoxycholate 7-sulphate Glycochenodeoxycholic acid 7-sulfate Glycochenodeoxycholic acid 7-sulfuric acid Glycochenodeoxycholic acid 7-sulphate Glycochenodeoxycholic acid 7-sulphuric acid Glycochenodeoxycholyl 7-sulfate Glycochenodeoxycholyl 7-sulphate N-(3a-Hydroxy-7a-sulfooxy-5b-cholan-24-oyl)glycine N-(3a-Hydroxy-7a-sulphooxy-5b-cholan-24-oyl)glycine N-(3alpha-Hydroxy-7alpha-sulfooxy-5beta-cholan-24-oyl)glycine N-(3alpha-Hydroxy-7alpha-sulphooxy-5beta-cholan-24-oyl)glycine N-(3alpha-hydroxy-7alpha-sulfooxy-5beta-cholan-24-oyl)glycine N-(3alpha-hydroxy-7alpha-sulphooxy-5beta-cholan-24-oyl)glycine N-[(3a,5b,7a)-3-Hydroxy-24-oxo-7-(sulphooxy)cholan-24-yl]-glycine [(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyl-9-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido]acetic acid
metacyc.compound:GLYCOCHENODEOXYCHOLATE-7-SULFATE metacycM:GLYCOCHENODEOXYCHOLATE-7-SULFATE	glycochenodeoxycholate 7-sulfate
CHEBI:52031 chebi:52031 lipidmaps:LMST05030005 lipidmapsM:LMST05030005	glycochenodeoxycholic acid 7-sulfate N-(3alpha-hydroxy-7alpha-sulfooxy-5beta-cholan-24-oyl)glycine N-[3alpha-hydroxy-24-oxo-7alpha-(sulfooxy)-5beta-cholan-24-yl]glycine
CHEBI:133720 chebi:133720	glycochenodeoxycholic acid sulfate anion glycochenodeoxycholic acid sulfate anions
hmdb:HMDB02496 keggC:M_C15559 seedM:M_cpd11227	secondary/obsolete/fantasy identifier