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CHEBI:206233 - Actinomycin Z2

ChEBI IDCHEBI:206233
ChEBI NameActinomycin Z2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H84N12O18
Net Charge0
Average Mass1285.420
Monoisotopic Mass1284.60265
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)OC2C)c(N)c1=O
InChIInChI=1S/C62H84N12O18/c1-24(2)42-58(85)73-28(8)20-37(76)49(73)60(87)70(15)23-39(78)72(17)48(26(5)6)62(89)91-33(13)44(55(82)65-42)67-53(80)34-19-18-27(7)51-46(34)64-47-40(41(63)50(79)29(9)52(47)92-51)54(81)68-45-32(12)90-61(88)31(11)71(16)38(77)22-69(14)57(84)35-21-36(75)30(10)74(35)59(86)43(25(3)4)66-56(45)83/h18-19,24-26,28,30-33,35,37,42-45,48-49,76H,20-23,63H2,1-17H3,(H,65,82)(H,66,83)(H,67,80)(H,68,81)/t28?,30?,31-,32?,33?,35-,37?,42+,43+,44-,45-,48-,49-/m0/s1
InChIKeyNGFUGVYRFFWVGT-NLXDRQMSSA-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 Z2 (CHEBI:206233) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-amino-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-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]phenoxazine-1,9-dicarboxamide
Manual XrefsDatabases
78445410ChemSpider