CHEBI:207858 - Penicisteroid F

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 Penicisteroid F
ChEBI ID CHEBI:207858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O7
Net Charge 0
Average Mass 522.723
Monoisotopic Mass 522.35565
InChI InChI=1S/C30H50O7/c1-15(2)16(3)8-9-17(4)24-22(37-18(5)31)12-20-23-25(21(33)14-28(20,24)6)29(7)11-10-19(32)13-30(29,36)27(35)26(23)34/h8-9,15-17,19-27,32-36H,10-14H2,1-7H3/b9-8+/t16-,17+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29+,30-/m0/s1
InChIKey HFUCIIVEICGGNB-SUDBBCPOSA-N
SMILES O=C(O[C@@H]1[C@@H]([C@]2(C[C@H](O)[C@H]3[C@H]([C@@H]2C1)[C@@H](O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penicisteroid F (CHEBI:207858) is a ergostanoid (CHEBI:50403)
IUPAC Name
[(3S,5R,6R,7R,8S,9S,10R,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,6,7,11-pentahydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Manual Xref Database
73930371 ChemSpider
View more database links