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CHEBI:220958 - Actinomycin Z4

ChEBI IDCHEBI:220958
ChEBI NameActinomycin Z4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H84N12O17
Net Charge0
Average Mass1269.421
Monoisotopic Mass1268.60774
SMILESCc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5C(C)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)OC4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3C(C)C(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)OC2C)c(N)c1=O
InChIInChI=1S/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29?,31?,32-,33?,34?,36-,37-,43+,44+,45-,46-,49-/m0/s1
InChIKeyUEEVFDRZQAFDKU-HPVLVMQISA-N
Species of MetaboliteComponentSourceComments
Streptomyces fradiae (ncbitaxon:1906) - PubMed (10757717)
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 Z4 (CHEBI:220958) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,10S,16S)-7,10,11,14,19-pentamethyl-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,10S,16S)-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
78445441ChemSpider