CHEBI:27666 - actinomycin D

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ChEBI Name actinomycin D
ChEBI ID CHEBI:27666
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22218, CHEBI:2446
Supplier Information eMolecules:474922
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Formula C62H86N12O16
Net Charge 0
Average Mass 1255.41700
Monoisotopic Mass 1254.62847
InChI InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1
InChIKey RJURFGZVJUQBHK-IIXSONLDSA-N
SMILES [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): mutagen
An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via peptide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing actinomycin D (CHEBI:27666) has role mutagen (CHEBI:25435)
actinomycin D (CHEBI:27666) is a actinomycin (CHEBI:15369)
IUPAC Name
2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide
Synonyms Sources
2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide ChemIDplus
ActD ChEBI
actinomycin C1 ChEBI
Actinomycin D KEGG COMPOUND
actinomycin IV ChemIDplus
Dactinomycin KEGG COMPOUND
Manual Xrefs Databases
774 DrugCentral
C06770 KEGG COMPOUND
D00214 KEGG DRUG
Dactinomycin Wikipedia
DB00970 DrugBank
LSM-5783 LINCS
View more database links
Registry Numbers Types Sources
4173766 Beilstein Registry Number Beilstein
50-76-0 CAS Registry Number KEGG COMPOUND
50-76-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017