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CHEBI:52304 - 7-aminoactinomycin D

ChEBI IDCHEBI:52304
ChEBI Name7-aminoactinomycin D
Stars
Last Modified14 November 2013
SubmitterInma Spiteri
DownloadsMolfile
FormulaC62H87N13O16
Net Charge0
Average Mass1270.453
Monoisotopic Mass1269.63937
SMILES[H][C@@]12CCCN1C(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)c1c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H](C(C)C)C(=O)N6CCC[C@@]6([H])C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)cc(N)c(C)c4oc-3c(C)c(=O)c1N)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O
InChIInChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1
InChIKeyYXHLJMWYDTXDHS-IRFLANFNSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
7-aminoactinomycin D (CHEBI:52304) has role fluorochrome (CHEBI:51217)
7-aminoactinomycin D (CHEBI:52304) is a chromopeptide (CHEBI:23239)
IUPAC Name 
2,7-diamino-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  Source
7-amino-AMDChemIDplus
FLU 402ChemIDplus
Registry NumbersSources
Beilstein:5915844Beilstein
CAS:7240-37-1ChemIDplus