Cyanocobalamin

CHEBI:17439 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:17439
Ontology label
cyanocob(III)alamin
kg-microbe node
CHEBI:17439

Nutritional roles

Synonyms (21)

SynonymTypeSourceOccurrences
Role: Vitamin RAW_TEXT CultureMech
Role: Vitamin; Properties: Organic compound, Defined component, Simple component RAW_TEXT CultureMech
Role: Vitamin; Properties: Organic compound, Simple component, Defined component RAW_TEXT CultureMech
Cyanocobalamine EXACT manual
CN-Cbl EXACT_SYNONYM kg_microbe
CO-CYANOCOBALAMIN EXACT_SYNONYM kg_microbe
Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide EXACT_SYNONYM kg_microbe
Cyanocob(III)alamin EXACT_SYNONYM kg_microbe
Cyanocobalamin (B ) EXACT_SYNONYM kg_microbe
Cyanocobalamin (Vitamin B ) EXACT_SYNONYM kg_microbe
Cyanocobalamin in EXACT_SYNONYM kg_microbe
Dicopac EXACT_SYNONYM kg_microbe
Vitamin B12 complex EXACT_SYNONYM kg_microbe
Vitamin B12  (4) EXACT_SYNONYM kg_microbe
Vitamin B12  (8) EXACT_SYNONYM kg_microbe
Vitamin B12  (9) EXACT_SYNONYM kg_microbe
vitamin B-12 EXACT_SYNONYM kg_microbe
vitamin B12 vitamer EXACT_SYNONYM kg_microbe
vitamin B12 vitamers EXACT_SYNONYM kg_microbe
vitamins B12 EXACT_SYNONYM kg_microbe
(add after autoclaving) RAW_TEXT sssom_other_backfill

Rejected enrichment labels (1)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected labelDispositionSourceOccurrences
Vitamin B12 REJECTED_LABEL manual

Chemical properties

Cas rn
68-19-9
Data source
CultureBotHT/compounds_to_cas.csv
Retrieval date
2026-04-09T00:32:50.689620+00:00
Molecular formula
C63H88CoN14O14P
Inchi
InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
Smiles
[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@]([H])(C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc54)[Co-3]456([C]#N)[N]1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
275
Distinct media
265

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T19:51:38.375546+00:00 fetch_cas_rn_from_pubchem ADDED_CAS_RN MAPPED Added CAS-RN:200-680-0 from PubChem API via name lookup (Cyanocobalamin)
2026-04-05T21:48:44.925940+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:68-19-9 from CultureBotHT compounds_to_cas.csv (matched: cyanocobalamin)
2026-04-09T00:32:50.689620+00:00 enrich_mim_cas_rn_batch CAS_RN_ADDED MAPPED Added CAS-RN 68-19-9 from CultureBotHT/compounds_to_cas.csv
2026-04-17T12:00:00+00:00 synonym_expansion_cbclaw LLM ADDED_SYNONYMS MAPPED Added 2 synonyms for unmapped CultureMech surface forms
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 16 synonyms from kg-microbe P4.4 enrichment: CN-Cbl, CO-CYANOCOBALAMIN, Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide, Cyanocob(III)alamin, Cyanocobalamin (B ), ... (11 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 14 synonyms from kg-microbe P4.4 enrichment: CN-Cbl, CO-CYANOCOBALAMIN, Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide, Cyanocobalamin (B ), Cyanocobalamin (Vitamin B ), ... (9 more)
2026-04-19T07:39:23.955331+00:00 audit_mim_merge MERGED_FROM_DUPLICATES MAPPED Absorbed 1 duplicate MIM record(s) into this one: Cyanocobalamin_2.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break.
2026-05-01T07:35:33.001808+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.907633+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C63H88CoN14O14P; inchi=InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(; smiles=[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@]([H]
2026-05-02T03:12:13.656525+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.110822+00:00 extract_roles_from_synonyms ANNOTATED Added media role: VITAMIN_SOURCE (confidence: 1.00)
2026-06-09T05:23:46.747763+00:00 correct_stale_ontology_labels.py CORRECTED ontology_label 'Cyanocobalamin' -> 'cyanocob(III)alamin': synced to canonical CHEBI label (preferred_term 'Cyanocobalamin' unchanged).
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): VITAMIN_SOURCE -> nutritional_roles.VITAMIN_SOURCE
2026-08-27T03:16:39.518664+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 42/42 -> 265/275 (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]
2026-09-02T17:40:44.716277+00:00 claude_sssom_surface_form_backfill ADDED_SYNONYMS Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: '(add after autoclaving)'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).
2026-09-24T07:48:22.735873+00:00 claude LLM REJECTED_WRONG_SUBSTANCE_SYNONYMS MAPPED Retyped REJECTED_LABEL: 'Vitamin B12' (EXACT): ChEBI assigns 'vitamin B12' to CHEBI:176843, the class record, not to cyanocobalamin CHEBI:17439 (#669). Kept as provenance only; it must not resolve, be exported, or enter the SSSOM other column.