Feedback

5beta-scymnol

Properties

Image

Occurences in reactions

MNX_ID

MNXM3876

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

formula

C₂₇H₄₈O₆

charge

mass

468.34509

reference

chebi:50106

InChIKey

DIPHJTHZUWDJIK-JPLAUYQNSA-N

InChI

InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1

SMILES

C[C@H](CC[C@@H](O)C(CO)CO)[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
CHEBI:50106 chebi:50106	5beta-scymnol (24R)-5beta-cholestane-3alpha,7alpha,12alpha,24,26,27-hexol 5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol 5beta-Scymnol Scymnol
metacyc.compound:5-BETA-SCYMNOL metacycM:5-BETA-SCYMNOL	5-beta-scymnol
lipidmaps:LMST04030173 lipidmapsM:LMST04030173	5beta-scymnol (24R)-5beta-cholestane-3alpha,7alpha,12alpha,24,26,27-hexol O6 ST 27:0 Scymnol
seed.compound:cpd14976 seedM:cpd14976	Scymnol 5-beta-scymnol 5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol 5beta-Scymnol
kegg.compound:C16260 keggC:C16260	Scymnol 5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol 5beta-Scymnol
keggC:M_C16260 seedM:M_cpd14976	secondary/obsolete/fantasy identifier