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CHEBI:206031 - Actinomycin Y8

ChEBI IDCHEBI:206031
ChEBI NameActinomycin Y8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H82N12O18
Net Charge0
Average Mass1271.393
Monoisotopic Mass1270.58700
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)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/C61H82N12O18/c1-24(2)41-57(84)72-21-33(74)20-35(72)56(83)68(13)22-37(76)70(15)30(10)60(87)89-31(11)44(55(82)64-41)67-53(80)39-40(62)49(78)29(9)51-46(39)63-45-34(18-17-27(7)50(45)91-51)52(79)66-43-32(12)90-61(88)47(26(5)6)71(16)38(77)23-69(14)59(86)48-36(75)19-28(8)73(48)58(85)42(25(3)4)65-54(43)81/h17-18,24-26,28,30-32,35-36,41-44,47-48,75H,19-23,62H2,1-16H3,(H,64,82)(H,65,81)(H,66,79)(H,67,80)/t28-,30-,31+,32+,35-,36-,41+,42+,43-,44-,47-,48-/m0/s1
InChIKeyXATRISMANZEMDH-GIYVJPTOSA-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 Y8 (CHEBI:206031) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-amino-9-N-[(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]-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]phenoxazine-1,9-dicarboxamide
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