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CHEBI:217359 - Actinomycin Y3

ChEBI IDCHEBI:217359
ChEBI NameActinomycin Y3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H82N12O19
Net Charge0
Average Mass1287.392
Monoisotopic Mass1286.58192
SMILESCc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@H](C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)[C@@H](O)C[C@@H]5C)c3nc-2c(C(=O)OC[C@H](O)[C@@H]2NC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC(=O)CN3C(=O)[C@@H](C(C)C)NC2=O)c(N)c1=O
InChIInChI=1S/C61H82N12O19/c1-24(2)41-57(85)72-20-32(74)19-34(72)56(84)68(12)21-37(77)70(14)30(10)52(80)67-45(55(83)64-41)36(76)23-90-60(88)39-40(62)49(79)29(9)51-46(39)63-44-33(17-16-27(7)50(44)92-51)53(81)66-43-31(11)91-61(89)47(26(5)6)71(15)38(78)22-69(13)59(87)48-35(75)18-28(8)73(48)58(86)42(25(3)4)65-54(43)82/h16-17,24-26,28,30-31,34-36,41-43,45,47-48,75-76H,18-23,62H2,1-15H3,(H,64,83)(H,65,82)(H,66,81)(H,67,80)/t28-,30-,31+,34-,35-,36-,41+,42+,43-,45-,47-,48-/m0/s1
InChIKeyHHHOVQLWSQVAOE-RXQWQQRBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19156308)
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 Y3 (CHEBI:217359) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(2R)-2-hydroxy-2-[(3R,6S,9S,15S)-9,10,13-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] 2-amino-9-[[(3R,6S,7R,10S,16S,17S,19S)-17-hydroxy-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]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carboxylate
Manual XrefsDatabases
76783384ChemSpider