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CHEBI:211549 - Actinomycin D1

ChEBI IDCHEBI:211549
ChEBI NameActinomycin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H86N12O16
Net Charge0
Average Mass1267.449
Monoisotopic Mass1266.62847
SMILESCc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]3C)c3ncoc3c1C)N2
InChIInChI=1S/C63H86N12O16/c1-28(2)42-60(84)74-23-17-19-37(74)58(82)70(13)25-39(76)72(15)49(30(5)6)62(86)89-34(11)44(56(80)66-42)68-54(78)36-22-21-32(9)51-46(36)65-48-41(47-52(88-27-64-47)33(10)53(48)91-51)55(79)69-45-35(12)90-63(87)50(31(7)8)73(16)40(77)26-71(14)59(83)38-20-18-24-75(38)61(85)43(29(3)4)67-57(45)81/h21-22,27-31,34-35,37-38,42-45,49-50,65H,17-20,23-26H2,1-16H3,(H,66,80)(H,67,81)(H,68,78)(H,69,79)/t34-,35-,37+,38+,42-,43-,44+,45+,49+,50+/m1/s1
InChIKeyRQKXACONPJCHNX-QYZRMVFWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.08.023)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Actinomycin D1 (CHEBI:211549) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
9,11-dimethyl-4-N,6-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-5H-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
Manual XrefsDatabases
71048609ChemSpider