CHEBI:173026 - 26-methylstigmasta-5,25(27)-dien-3beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 26-methylstigmasta-5,25(27)-dien-3beta-ol
ChEBI ID CHEBI:173026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-7-20(3)22(8-2)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,21-22,24-28,31H,3,7-10,12-19H2,1-2,4-6H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey NLVGXXWYWDSDAW-VHZNKUSHSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](CC)C(CC)=C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 26-methylstigmasta-5,25(27)-dien-3beta-ol (CHEBI:173026) has parent hydride stigmastane (CHEBI:26773)
26-methylstigmasta-5,25(27)-dien-3beta-ol (CHEBI:173026) is a steroid (CHEBI:35341)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
29212346 ChemSpider
LMST01040161 LIPID MAPS
View more database links