CHEBI:169017 - 24-northornasterol A

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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 24-northornasterol A
ChEBI ID CHEBI:169017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O4
Net Charge 0
Average Mass 418.618
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-15(2)22(29)14-26(5,30)23-7-6-18-17-13-21(28)20-12-16(27)8-10-24(20,3)19(17)9-11-25(18,23)4/h9,15-18,20-21,23,27-28,30H,6-8,10-14H2,1-5H3/t16-,17-,18-,20+,21-,23-,24+,25-,26-/m0/s1
InChIKey YYSZRBSSGDXVTR-OWTHIMASSA-N
SMILES O[C@@H]1[C@@]2([C@@](C=3[C@]([C@]4([C@@]([C@](CC4)([C@@](O)(CC(=O)C(C)C)C)[H])(CC3)C)[H])(C1)[H])(CC[C@H](O)C2)C)[H]
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 24-northornasterol A (CHEBI:169017) is a bile acid (CHEBI:3098)
IUPAC Name
(5S)-5-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylhexan-3-one
Manual Xref Database
LMST01010320 LIPID MAPS
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