CHEBI:185752 - 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol

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 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol
ChEBI ID CHEBI:185752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O9
Net Charge 0
Average Mass 516.672
Monoisotopic Mass 516.32983
InChI InChI=1S/C27H48O9/c1-6-22(3,33)10-7-14(2)15-13-18(29)27(36)23(15,4)12-9-17-24(5)11-8-16(28)19(30)26(24,35)21(32)20(31)25(17,27)34/h14-21,28-36H,6-13H2,1-5H3/t14-,15-,16+,17-,18+,19+,20+,21+,22-,23-,24-,25-,26+,27+/m1/s1
InChIKey GWRUYSBVTMSIKL-OIOANXOXSA-N
SMILES O[C@]12[C@@]3(O)[C@@]([C@@]4([C@@](O)([C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)CC4)C)(CC[C@@]1([C@](C[C@@H]2O)([C@@H](CC[C@](O)(CC)C)C)[H])C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol (CHEBI:185752) is a steroid (CHEBI:35341)
IUPAC Name
(3S,4S,5S,6S,7S,8R,9R,10R,13R,14R,15S,17R)-17-[(2R,5R)-5-hydroxy-5-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,4,5,6,7,8,14,15-octol
Manual Xrefs Databases
113385202 ChemSpider
LMST01031078 LIPID MAPS
View more database links