CHEBI:166793 - Doristerol

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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 Doristerol
ChEBI ID CHEBI:166793
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H46O
Net Charge 0
Average Mass 386.664
Monoisotopic Mass 386.35487
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey ONYPIMNXSARKFQ-NFTYELEKSA-N
SMILES O[C@@H]1C[C@]2([C@@]([C@@]3(C(=C4[C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)CC2)[H])(CC1)C)[H]
ChEBI Ontology
Outgoing Doristerol (CHEBI:166793) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
4446757 ChemSpider
HMDB0029815 HMDB
LMST01010097 LIPID MAPS
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