CHEBI:184934 - Norselic acid D

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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 Norselic acid D
ChEBI ID CHEBI:184934
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H44O4
Net Charge 0
Average Mass 456.667
Monoisotopic Mass 456.32396
InChI InChI=1S/C29H44O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h17,19,22-25,33H,2,6-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27+,28-,29+/m1/s1
InChIKey FQQBBMUNHBMJPB-QEYQUZSWSA-N
SMILES OC(=O)[C@@]12[C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC1)[H])[H])(CC[C@@]2([C@@H](CC[C@](O)(CC)C(C)=C)C)[H])[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 Norselic acid D (CHEBI:184934) has parent hydride stigmastane (CHEBI:26773)
Norselic acid D (CHEBI:184934) is a steroid (CHEBI:35341)
IUPAC Name
(8R,9S,10R,13S,14S,17R)-17-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxylic acid
Manual Xrefs Databases
25053463 ChemSpider
LMST01040192 LIPID MAPS
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