CHEBI:67714 - Gitingensine

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ChEBI Name Gitingensine
ChEBI ID CHEBI:67714
Definition A natural product found in Kibatalia laurifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H31NO2
Net Charge 0
Average Mass 329.47630
Monoisotopic Mass 329.23548
InChI InChI=1S/C21H31NO2/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12/h3,12,14-18H,4-11,22H2,1-2H3/t12-,14+,15+,16+,17-,18-,20-,21-/m0/s1
InChIKey LFGPYDIPRZAYQB-KWUKWGFESA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C
Metabolite of Species Details
Kibatalia laurifolia (IPNI:79456-1) Found in leaf (BTO:0000713). Dried, ground leaves were alkalized with NH4OH & extracted successively with n-hexane, CH2Cl2 & MeOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing Gitingensine (CHEBI:67714) has role metabolite (CHEBI:25212)
Gitingensine (CHEBI:67714) is a steroid (CHEBI:35341)
Synonym Source
(3alpa,20S)-3-Amino-18,20-epoxypregn-5-en-18-one ChEBI
Citation Waiting for Citations Type Source
21443172 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:sesquiterpenoid(CHEBI:26658); ISA:primary aliphatic amine(CHEBI:17062); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:alkylamine(CHEBI:13759); ISA:carbonyl compound(CHEBI:36586);