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CHEBI:206019 - Actinomycin Y6

ChEBI IDCHEBI:206019
ChEBI NameActinomycin Y6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H80N12O18
Net Charge0
Average Mass1269.377
Monoisotopic Mass1268.57135
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-2c2c(c1=O)N[C@H]([C@@H]1NC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC(=O)CN3C(=O)[C@@H](C(C)C)NC1=O)COC2=O
InChIInChI=1S/C61H80N12O18/c1-24(2)40-57(84)72-20-32(74)19-35(72)56(83)68(12)21-37(76)70(14)30(10)52(79)67-44(55(82)64-40)34-23-89-60(87)39-45(62-34)49(78)29(9)51-46(39)63-43-33(17-16-27(7)50(43)91-51)53(80)66-42-31(11)90-61(88)47(26(5)6)71(15)38(77)22-69(13)59(86)48-36(75)18-28(8)73(48)58(85)41(25(3)4)65-54(42)81/h16-17,24-26,28,30-31,34-36,40-42,44,47-48,62,75H,18-23H2,1-15H3,(H,64,82)(H,65,81)(H,66,80)(H,67,79)/t28-,30-,31+,34-,35-,36-,40+,41+,42-,44-,47-,48-/m0/s1
InChIKeyKLFMLKUJSQSQEM-SDCBHFABSA-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 Y6 (CHEBI:206019) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4R)-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]-7,9-dimethyl-1,6-dioxo-4-[(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]-4,5-dihydro-3H-[1,4]oxazepino[6,5-a]phenoxazine-12-carboxamide
Manual XrefsDatabases
76791867ChemSpider