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CHEBI:760593 - heroin(1+)

Default Structure
ChEBI IDCHEBI:760593
ChEBI Nameheroin(1+)
Stars
Last Modified11 August 2026
Submitterabridge
DownloadsMolfile
FormulaC21H24NO5
Net Charge+1
Average Mass370.425
Monoisotopic Mass370.16490
SMILES[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3Oc4c(OC(C)=O)ccc5c4[C@@]31CC[NH+](C)[C@@H]2C5
InChIInChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/p+1/t14-,15+,17-,20-,21-/m0/s1
InChIKeyGVGLGOZIDCSQPN-PVHGPHFFSA-O
Roles Classification
Biological Roles:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
ChEBI Ontology
Outgoing Relation(s)
heroin(1+) (CHEBI:760593) has functional parent morphine (CHEBI:17303)
heroin(1+) (CHEBI:760593) has role opioid analgesic (CHEBI:35482)
heroin(1+) (CHEBI:760593) has role prodrug (CHEBI:50266)
heroin(1+) (CHEBI:760593) has role μ-opioid receptor agonist (CHEBI:55322)
heroin(1+) (CHEBI:760593) is a morphinane alkaloid (CHEBI:25418)
UniProt Name  Source
heroinUniProt