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CHEBI:206035 - Actinomycin Y9

ChEBI IDCHEBI:206035
ChEBI NameActinomycin Y9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H82N12O17
Net Charge0
Average Mass1255.394
Monoisotopic Mass1254.59209
SMILESCc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
InChIInChI=1S/C61H82N12O17/c1-25(2)42-58(84)72-22-34(74)21-37(72)57(83)69(14)23-38(75)70(15)31(10)60(86)88-32(11)45(55(81)64-42)67-53(79)40-41(62)49(77)30(9)51-47(40)63-46-35(19-17-28(7)50(46)90-51)52(78)66-44-33(12)89-61(87)48(27(5)6)71(16)39(76)24-68(13)56(82)36-20-18-29(8)73(36)59(85)43(26(3)4)65-54(44)80/h17,19,25-27,29,31-33,36-37,42-45,48H,18,20-24,62H2,1-16H3,(H,64,81)(H,65,80)(H,66,78)(H,67,79)/t29-,31-,32+,33+,36-,37-,42+,43+,44-,45-,48-/m0/s1
InChIKeyGFBDGRVUEMCJNL-FSUOYHKDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27736087)
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 Y9 (CHEBI:206035) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14-tetramethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3R,6S,7R,10S,16S,19S)-7,11,14,19-tetramethyl-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]phenoxazine-1,9-dicarboxamide
Manual XrefsDatabases
76802317ChemSpider