CHEBI:188204 - Nebrosteroid K

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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 Nebrosteroid K
ChEBI ID CHEBI:188204
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O3
Net Charge 0
Average Mass 430.673
Monoisotopic Mass 430.34470
InChI InChI=1S/C28H46O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29)13-16-28(20,26(30)31-5)25(22)14-15-27(23,24)4/h9,18-19,21-25,29H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27-,28-/m1/s1
InChIKey RJUFSIGCWNUVCK-ROUDTPAMSA-N
SMILES O(C(=O)[C@@]12[C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC=C1C[C@@H](O)CC2)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Nebrosteroid K (CHEBI:188204) is a cholestanoid (CHEBI:50401)
IUPAC Name
methyl (3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylate
Manual Xrefs Databases
27024111 ChemSpider
LMST01010338 LIPID MAPS
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