CHEBI:171688 - 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al

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ChEBI Name 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al
ChEBI ID CHEBI:171688
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H30O5
Net Charge 0
Average Mass 362.466
Monoisotopic Mass 362.20932
InChI InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-12,14-17,19,22,25H,2-10H2,1H3/t12-,14+,15+,16?,17+,19-,20+,21?/m1/s1
InChIKey IIBOWSHDTFRYKU-AGSIWSQZSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3(C(C1)(C(CC3)C(=O)CO)C=O)[H])(CC[C@]4([C@@]2(CCC(=O)C4)C)[H])[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al (CHEBI:171688) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name
(5R,8S,9S,10S,11S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
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24850103 ChemSpider
LMST02030187 LIPID MAPS
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