S-ADENOSYL-L-HOMOCYSTEINE

Isomeric SMILES

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

InChI

Not curated

{
  "aliases": [
    "S-ADENOSYL-L-HOMOCYSTEINE"
  ],
  "ccd_ids": [
    "SAH"
  ],
  "ccd_names": "[\"S-ADENOSYL-L-HOMOCYSTEINE\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
  "connectivity_block": "ZJUKTBDSGOFHSH",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"SAH\": 0}",
  "formulae": "[\"C14 H20 N6 O5 S\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N",
  "primary_name": "S-ADENOSYL-L-HOMOCYSTEINE",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"SAH\": \"c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N\"}",
  "source_metadata_sha256": "{\"SAH\": \"dff94e5a4d48879b3c8fd7057a044d6beeb8143070198a2a866f18daf529249a\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/SAH"
  ]
}