Ontology mapping
- Primary identifier
-
CHEBI:50385 - Ontology label
- hemin
- kg-microbe node
CHEBI:50385
Nutritional roles
- Role
- COFACTOR_PROVIDER
- Confidence
- 0.6
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Assigned by in-session Claude reasoning (no external API)
- Curator note
- Provisional in-session LLM role assignment; review recommended.
Synonyms (21)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Role: Growth factor; Properties: Defined component, Organic compound, Simple component | RAW_TEXT | CultureMech | |
| Role: Growth factor; Properties: Defined component, Simple component, Organic compound | RAW_TEXT | CultureMech | |
| Role: Growth factor; Properties: Organic compound, Defined component, Simple component | RAW_TEXT | CultureMech | |
| Role: Growth factor; Properties: Organic compound, Simple component, Defined component | RAW_TEXT | CultureMech | |
| Role: Growth factor; Properties: Simple component, Defined component, Organic compound | RAW_TEXT | CultureMech | |
| Hemin | EXACT_SYNONYM | kg_microbe | |
| Hemin chloride | EXACT_SYNONYM | kg_microbe | |
| Hemine | EXACT_SYNONYM | kg_microbe | |
| Panhematin | EXACT_SYNONYM | kg_microbe | |
| chlorido(protoporphyrinato)iron(III) | EXACT_SYNONYM | kg_microbe | |
| chloro(protoporphyrinato)iron(III) | EXACT_SYNONYM | kg_microbe | |
| chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(III) | EXACT_SYNONYM | kg_microbe | |
| chlorohemin | EXACT_SYNONYM | kg_microbe | |
| chloroprotoferrihem | EXACT_SYNONYM | kg_microbe | |
| ferriprotoporphyrin IX chloride | EXACT_SYNONYM | kg_microbe | |
| hemin IX | EXACT_SYNONYM | kg_microbe | |
| protohemin | EXACT_SYNONYM | kg_microbe | |
| protohemin IX | EXACT_SYNONYM | kg_microbe | |
| Role: Growth factor; Properties: Simple component, Organic compound, Defined component | RAW_TEXT | CultureMech | |
| Hemin (0.1% in 0.05 N NaOH) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv | |
| hemin (ICN) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv |
Chemical properties
- Cas rn
- 16009-13-5
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:52:21.121445+00:00
- Molecular formula
- C34H32ClFeN4O4
- Inchi
- InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
- Smiles
- C=CC1=C(C)C2=Cc3c(C=C)c(C)c4[n]3[Fe]35([Cl])[N]2=C1C=c1c(C)c(CCC(=O)O)c([n]13)=CC1=[N]5C(=C4)C(C)=C1CCC(=O)O
Evidence (1)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
Occurrence statistics
- Total occurrences
- 257
- Distinct media
- 256
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-05T19:52:21.121508+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:16009-13-5 from PubChem API via name lookup (Haemin) |
| 2026-04-05T21:48:45.168873+00:00 | fetch_cas_rn_from_culturebot_csv | ADDED_CAS_RN | MAPPED | Added CAS-RN:16009-13-5 from CultureBotHT compounds_to_cas.csv (matched: Hemin) |
| 2026-04-05T21:48:45.171214+00:00 | fetch_cas_rn_from_culturebot_csv | ADDED_CAS_RN | MAPPED | Added CAS-RN:16009-13-5 from CultureBotHT compounds_to_cas.csv (matched: hemin) |
| 2026-04-05T21:48:45.173211+00:00 | fetch_cas_rn_from_culturebot_csv | ADDED_CAS_RN | MAPPED | Added CAS-RN:16009-13-5 from CultureBotHT compounds_to_cas.csv (matched: Hemin chloride) |
| 2026-04-05T23:44:47.593308+00:00 | fetch_cas_rn_with_preprocessing | ADDED_CAS_RN | MAPPED | Added CAS-RN:16009-13-5 from PubChem API (ontology label) via name preprocessing (haemin) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 13 synonyms from kg-microbe P4.4 enrichment: Hemin, Hemin chloride, Hemine, Panhematin, chlorido(protoporphyrinato)iron(III), ... (8 more) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 13 synonyms from kg-microbe P4.4 enrichment: Haemin, Hemin chloride, Hemine, Panhematin, chlorido(protoporphyrinato)iron(III), ... (8 more) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 13 synonyms from kg-microbe P4.4 enrichment: Haemin, Hemin, Hemine, Panhematin, chlorido(protoporphyrinato)iron(III), ... (8 more) |
| 2026-04-19T07:39:23.955331+00:00 | audit_mim_merge | MERGED_FROM_DUPLICATES | MAPPED | Absorbed 4 duplicate MIM record(s) into this one: Hemin.yaml, Haemin_2.yaml, Hemin_2.yaml, Hemin_Chloride.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break. |
| 2026-05-01T07:35:33.927928+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:29.897732+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C34H32ClFeN4O4; inchi=InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-1; smiles=C=CC1=C(C)C2=Cc3c(C=C)c(C)c4[n]3[Fe]35([Cl])[N]2=C | |
| 2026-05-02T03:12:14.906039+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-09T04:56:30.247954+00:00 | claude_in_session_curation | ANNOTATED | Added media role: COFACTOR_PROVIDER (confidence: 0.60) | |
| 2026-06-09T05:23:46.772666+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Haemin' -> 'hemin': synced to canonical CHEBI label (preferred_term 'Haemin' unchanged). | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): COFACTOR_PROVIDER -> nutritional_roles.COFACTOR_PROVIDER | |
| 2026-08-27T03:16:39.518982+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 117/194 -> 256/257 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257] | |
| 2026-08-30T04:48:06.233536+00:00 | claude_culturemech_alias_backfill | ADDED_SYNONYMS | Added 2 CultureMech recipe surface form(s) that folded onto this record's published label but were absent from MIM's label index, so CultureMech could not resolve them: 'Hemin (0.1% in 0.05 N NaOH)' (x1 CultureMech mentions); 'hemin (ICN)' (x1 CultureMech mentions). Source: culturemech:output/ingredient_occurrences.tsv. |