Apramycin sulfate salt

Ontology mapping

Primary identifier: CHEBI:190734
Ontology label: Apramycin sulfate

Physicochemical roles

Role
SELECTIVE_AGENT
Confidence
0.8
Evidence
- Reference type
  COMPUTATIONAL_PREDICTION
  Reference text
  Inferred from curated media-role name pattern
  Curator note
  Provisional role from a curated name-pattern rule; review recommended.

Synonyms (1)

Synonym	Type	Source	Occurrences
(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol;suluric acid	EXACT_SYNONYM	chebi_synonym_review

Chemical properties

Cas rn: 65710-07-8
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C21H43N5O15S
Smiles: CNC1C(C2C(CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(C(C(O4)CO)N)O)O)O.OS(=O)(=O)O
Inchi: InChI=1S/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-;/m1./s1
Pubchem cid: 3081544

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 65710-07-8 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 3081544'

MANUAL_CURATION via MIM curation (#312); chebi.db

identifier cas:65710-07-8 -> CHEBI:190734; ontology CHEBI:190734 ('Apramycin sulfate') -> CHEBI:190734 ('Apramycin sulfate'); mapping_quality NARROW_MATCH -> CAS_RN_LOOKUP. The 'no CHEBI entry exists' note was wrong: CHEBI:190734 'Apramycin sulfate' (C21H41N5O11.H2O4S = the record's C21H43N5O15S) has InChIKey WGLYHYWDYPSNPF-RQFIXDHTSA-N, and the record's CAS 65710-07-8 resolves on PubChem (CID 3081544) to the same InChIKey. The broadMatch parent is the substance itself; Section 3 step 1 promotes it to the identifier (#326 precedent), graded CAS_RN_LOOKUP because the CAS, not the label, established it. The CAS stays on its registry row; the kgmicrobe.compound row is dropped.

Occurrence statistics

Total occurrences: 0
Distinct media: 0

Curation history

Timestamp	Curator	Action	New status	Changes
2026-04-29T06:51:33.117170+00:00	audit_add_remaining_culturebotht	CREATED_FROM_CAS_FALLBACK	MAPPED	Created with cas:65710-07-8 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.224615+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:55.942540+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C21H43N5O15S; smiles=CNC1C(C2C(CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(; inchi=InChI=1S/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-
2026-05-02T03:12:12.537383+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:40:34.191234+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:190734 (pubchem-xref)
2026-06-02T07:05:13.386285+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: SELECTIVE_AGENT (confidence: 0.80)
2026-07-20T00:00:00+00:00	migrate_media_roles_to_facets	ANNOTATED		Migrated legacy media_roles to role facets (#128): SELECTIVE_AGENT -> physicochemical_roles.SELECTIVE_AGENT
2026-09-23T00:44:54.453584+00:00	claude LLM	REGRADED_PARENT_TO_IDENTITY	MAPPED	identifier cas:65710-07-8 -> CHEBI:190734; ontology CHEBI:190734 ('Apramycin sulfate') -> CHEBI:190734 ('Apramycin sulfate'); mapping_quality NARROW_MATCH -> CAS_RN_LOOKUP. The 'no CHEBI entry exists' note was wrong: CHEBI:190734 'Apramycin sulfate' (C21H41N5O11.H2O4S = the record's C21H43N5O15S) has InChIKey WGLYHYWDYPSNPF-RQFIXDHTSA-N, and the record's CAS 65710-07-8 resolves on PubChem (CID 3081544) to the same InChIKey. The broadMatch parent is the substance itself; Section 3 step 1 promotes it to the identifier (#326 precedent), graded CAS_RN_LOOKUP because the CAS, not the label, established it. The CAS stays on its registry row; the kgmicrobe.compound row is dropped. (#312)