CHEBI:3319 - calicheamicin γ1I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calicheamicin γ1I
ChEBI ID CHEBI:3319
ChEBI ASCII Name calicheamicin gamma1(I)
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41431
Supplier Information
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Formula C55H74IN3O21S4
Net Charge 0
Average Mass 1368.34800
Monoisotopic Mass 1367.27424
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-/m0/s1
InChIKey HXCHCVDVKSCDHU-LHTKNVSWSA-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](CO2)NCC)C#C\C=C/C#C[C@]2(O)CC(=O)C(NC(=O)OC)=C1/C2=C\CSSSC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via carbocyclic antibiotic )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing calicheamicin γ1I (CHEBI:3319) has role antineoplastic agent (CHEBI:35610)
calicheamicin γ1I (CHEBI:3319) has role metabolite (CHEBI:25212)
calicheamicin γ1I (CHEBI:3319) is a calicheamicin (CHEBI:64068)
calicheamicin γ1I (CHEBI:3319) is a enediyne antibiotic (CHEBI:53268)
calicheamicin γ1I (CHEBI:3319) is a organoiodine compound (CHEBI:37142)
Synonyms Sources
calicheamicin gamma(1)I ChemIDplus
Calicheamicin gamma(1)I KEGG COMPOUND
calicheamicin gamma(1,I) ChemIDplus
calicheamicin γ1 ChEBI
Calichemicin gamma1 KEGG COMPOUND
Manual Xref Database
C11469 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
108212-75-5 CAS Registry Number KEGG COMPOUND
108212-75-5 CAS Registry Number ChemIDplus
9894883 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12606118 PubMed citation Europe PMC
15099529 PubMed citation Europe PMC
1584797 PubMed citation Europe PMC
2753814 PubMed citation Europe PMC
Last Modified
04 August 2014