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CHEBI:234595 - MorHap

ChEBI IDCHEBI:234595
ChEBI NameMorHap
Stars
DefinitionA morphinane alkaloid that is morphine in which the hydroxy group at position 6S is replaced by a {3-[(triphenylmethyl)sulfanyl]propanoyl}amino group. It is a heroin hapten.
Last Modified21 July 2025
SubmitterAdnan
DownloadsMolfile
FormulaC39H38N2O3S
Net Charge0
Average Mass614.811
Monoisotopic Mass614.26031
SMILES[H][C@@]12C=C[C@H](NC(=O)CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/C39H38N2O3S/c1-41-23-22-38-30-18-19-31(37(38)44-36-33(42)20-17-26(35(36)38)25-32(30)41)40-34(43)21-24-45-39(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-20,30-32,37,42H,21-25H2,1H3,(H,40,43)/t30-,31-,32+,37-,38-/m0/s1
InChIKeyVJBNBUDWKBTFDH-BPGMNCLWSA-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)
MorHap (CHEBI:234595) has functional parent morphine (CHEBI:17303)
MorHap (CHEBI:234595) has role hapten (CHEBI:59174)
MorHap (CHEBI:234595) is a benzenes (CHEBI:22712)
MorHap (CHEBI:234595) is a morphinane alkaloid (CHEBI:25418)
MorHap (CHEBI:234595) is a organic heteropentacyclic compound (CHEBI:38164)
MorHap (CHEBI:234595) is a organic sulfide (CHEBI:16385)
MorHap (CHEBI:234595) is a secondary carboxamide (CHEBI:140325)
MorHap (CHEBI:234595) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(3-hydroxy-17-methyl-5α-7,8-didehydro-4,5-epoxymorphinan-6α-yl)-3-[(triphenylmethyl)sulfanyl]propanamide
Citations