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CHEBI:224057 - Actinomycin monolactone

ChEBI IDCHEBI:224057
ChEBI NameActinomycin monolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H88N12O17
Net Charge0
Average Mass1273.453
Monoisotopic Mass1272.63904
SMILESCc1c2oc3c(C)ccc(C(=O)N[C@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N(C)[C@H](C(=O)O)C(C)C)C(C)C)[C@H](C)O)c(N)c1=O
InChIInChI=1S/C62H88N12O17/c1-27(2)42(59(85)73-23-17-19-36(73)57(83)69(13)25-38(76)71(15)48(29(5)6)61(87)88)65-55(81)44(33(11)75)67-54(80)40-41(63)50(78)32(10)52-47(40)64-46-35(22-21-31(9)51(46)91-52)53(79)68-45-34(12)90-62(89)49(30(7)8)72(16)39(77)26-70(14)58(84)37-20-18-24-74(37)60(86)43(28(3)4)66-56(45)82/h21-22,27-30,33-34,36-37,42-45,48-49,75H,17-20,23-26,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,80)(H,68,79)(H,87,88)/t33-,34-,36+,37+,42+,43+,44+,45+,48-,49-/m0/s1
InChIKeyRWUXYUFLKBITPJ-LMYCQPCQSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes missouriensis (ncbitaxon:1866) - PubMed (4131509)
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 monolactone (CHEBI:224057) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[[2-[[(2R)-1-[(2R)-2-[[(2R,3S)-2-[[2-amino-4,6-dimethyl-3-oxo-9-[[(3R,6R,7S,10S,16R)-7,11,14-trimethyl-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]carbamoyl]phenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
Manual XrefsDatabases
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