CHEBI:215368 - Beta-pisosterol

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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 Beta-pisosterol
ChEBI ID CHEBI:215368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H54O4
Net Charge 0
Average Mass 514.791
Monoisotopic Mass 514.40221
InChI InChI=1S/C33H54O4/c1-19(2)20(3)28(36)29(37-22(5)34)21(4)23-13-17-33(10)25-11-12-26-30(6,7)27(35)15-16-31(26,8)24(25)14-18-32(23,33)9/h19,21,23,26-29,35-36H,3,11-18H2,1-2,4-10H3/t21-,23+,26-,27+,28-,29+,31+,32+,33-/m0/s1
InChIKey FCOMGKKGSLAJCY-LVCRVOBGSA-N
SMILES O=C(O[C@@H]([C@@H](O)C(=C)C(C)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)C
Metabolite of Species Details
Pisolithus tinctorius (NCBI:txid37468) See: DOI
ChEBI Ontology
Outgoing Beta-pisosterol (CHEBI:215368) is a triterpenoid (CHEBI:36615)
IUPAC Name
[(2S,3R,4S)-4-hydroxy-2-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptan-3-yl] acetate
Manual Xref Database
78441913 ChemSpider
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