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CHEBI:234495 - 14-AmidoMorHap

ChEBI IDCHEBI:234495
ChEBI Name14-AmidoMorHap
Stars
DefinitionA morphinane alkaloid that is dihydromorphine in which the hydrogen at position 14 is substituted by a 3-(tritylthio)propenamido group. It is a heroin hapten.
Last Modified23 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC39H40N2O4S
Net Charge0
Average Mass632.826
Monoisotopic Mass632.27088
SMILESCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@@]3(NC(=O)CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1C5
InChIInChI=1S/C39H40N2O4S/c1-41-23-22-37-34-26-17-18-30(42)35(34)45-36(37)31(43)19-21-38(37,32(41)25-26)40-33(44)20-24-46-39(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,31-32,36,42-43H,19-25H2,1H3,(H,40,44)/t31-,32+,36-,37-,38+/m0/s1
InChIKeyQNRRMXXRPDDZCR-IOMPEVEMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
14-AmidoMorHap (CHEBI:234495) has role hapten (CHEBI:59174)
14-AmidoMorHap (CHEBI:234495) is a benzenes (CHEBI:22712)
14-AmidoMorHap (CHEBI:234495) is a diol (CHEBI:23824)
14-AmidoMorHap (CHEBI:234495) is a morphinane alkaloid (CHEBI:25418)
14-AmidoMorHap (CHEBI:234495) is a organic heteropentacyclic compound (CHEBI:38164)
14-AmidoMorHap (CHEBI:234495) is a organic sulfide (CHEBI:16385)
14-AmidoMorHap (CHEBI:234495) is a secondary carboxamide (CHEBI:140325)
14-AmidoMorHap (CHEBI:234495) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(3,6α-dihydroxy-17-methyl-5α-4,5-epoxymorphinan-14-yl)-3-[(triphenylmethyl)sulfanyl]propanamide
Synonym  Source
N-((4aS,7S,7aR,12bR)-7,9-dihydroxy-3-methyl-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl)-3-(tritylthio)propenamideChEBI
Citations