AntibioticMech

calicheamicin γ1I

CHEBI:3319 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A calcheamicin in which contains 3-O-methyl-α-L-rhamnosyl, 2,6-dideoxy-4-thio-β-D-ribo-hexopyranosyl, and 4-amino-4,6-dideoxy-2-O-[2,4-dideoxy-4-(ethylamino)-3-O-methyl-α-L-threo-pentopyranosyl]-α-L-idopyranose units and in which the aromatic ring contains an iodo substituent. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:37142 CHEBI:37142
• CHEBI:53268 CHEBI:53268
• CHEBI:64068 CHEBI:64068

Chemical structure

Computed structure properties

Charge
Source	ChEBI
InChIKey	HXCHCVDVKSCDHU-PJKCJEBCSA-N

SMILES

[H][C@]1(O[C@@H]2O[C@H](C)[C@@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)c4c(C)c(I)c(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)c(OC)c4OC)[C@@H](C)O3)[C@H](O)[C@H]2O[C@H]2C[C@H](OC)[C@@H](NCC)CO2)C#C/C=C\C#C[C@]2(O)CC(=O)C(NC(=O)OC)=C1/C2=C\CSSSC

InChI

InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1

Also called

• Calicheamicin gamma(1)I (EXACT_SYNONYM)— chebi
• Calichemicin gamma1 (EXACT_SYNONYM)— chebi
• calicheamicin gamma(1)I (EXACT_SYNONYM)— chebi
• calicheamicin gamma(1,I) (EXACT_SYNONYM)— chebi
• calicheamicin γ1 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:108212-75-5
• kegg.compound:C11469
• reaxys:9894883

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

• CHEBI:33281 CHEBI:33281

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record

Source	Native ID	Label	Minted CURIE	Version
CHEBI	CHEBI:3319	calicheamicin γ1I	antibioticmech:chebi-f2a8f654ff	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.