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5beta-Scymnol sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3514

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₄₈O₉S

charge

mass

548.3019

reference

keggC:C16261

InChIKey

JKUSPYUETNXNRO-OOQSZNCVSA-N

InChI

InChI=1S/C27H48O9S/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35)/t15-,16?,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1

SMILES

C[C@H](CC[C@@H](O)C(CO)COS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](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
kegg.compound:C16261 keggC:C16261	5beta-Scymnol sulfate
metacyc.compound:5-BETA-SCYMNOL-SULFATE metacycM:5-BETA-SCYMNOL-SULFATE	5-beta-scymnol sulfate
seed.compound:cpd14977 seedM:cpd14977	5beta-Scymnol sulfate 5-beta-scymnol sulfate
CHEBI:50107 chebi:50107	5beta-scymnol sulfate (24R)-3alpha,7alpha,12alpha,24,26-pentahydroxy-5beta-cholestan-27-yl hydrogen sulfate 5beta-Scymnol sulfate
lipidmaps:LMST05020017 lipidmapsM:LMST05020017	5beta-scymnol sulfate (24R)-3alpha,7alpha,12alpha,24,26-pentahydroxy-5beta-cholestan-27-yl hydrogen sulfate 5beta-Scymnol sulfate O6 S ST 27:0
CHEBI:58808 chebi:58808	5beta-scymnol sulfate (24R)-3alpha,7alpha,12alpha,24,26-pentahydroxy-5beta-cholestan-27-yl sulfate 5beta-scymnol sulfate anion 5beta-scymnol sulfate(1-)
keggC:M_C16261 seedM:M_cpd14977	secondary/obsolete/fantasy identifier