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CHEBI:205005 - Actinomycin Z3

ChEBI IDCHEBI:205005
ChEBI NameActinomycin Z3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H83ClN12O18
Net Charge0
Average Mass1319.865
Monoisotopic Mass1318.56368
SMILESCc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5C(C)CC(O)[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)OC2CCl)c(N)c1=O
InChIInChI=1S/C62H83ClN12O18/c1-24(2)42-58(86)74-28(8)19-36(77)49(74)60(88)71(14)23-39(79)73(16)48(26(5)6)62(90)91-32(12)44(55(83)66-42)68-53(81)33-18-17-27(7)51-45(33)65-47-40(41(64)50(80)29(9)52(47)93-51)54(82)69-46-37(21-63)92-61(89)31(11)72(15)38(78)22-70(13)57(85)34-20-35(76)30(10)75(34)59(87)43(25(3)4)67-56(46)84/h17-18,24-26,28,30-32,34,36-37,42-44,46,48-49,77H,19-23,64H2,1-16H3,(H,66,83)(H,67,84)(H,68,81)(H,69,82)/t28?,30?,31-,32?,34-,36?,37?,42+,43+,44-,46-,48-,49-/m0/s1
InChIKeyPLQQUUFBVCDPMY-HQBKXLNNSA-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 Z3 (CHEBI:205005) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-amino-1-N-[(3R,6S,10S,16S)-7-(chloromethyl)-10,11,14,19-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,10S,16S)-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-oxophenoxazine-1,9-dicarboxamide
Manual XrefsDatabases
78445409ChemSpider