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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:
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
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.
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