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CHEBI:201977 - Actinomycin Y5

ChEBI IDCHEBI:201977
ChEBI NameActinomycin Y5
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)NC[C@H]1OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC(=O)CN3C(=O)[C@@H](C(C)C)NC(=O)[C@H]1NC2=O
InChIInChI=1S/C61H80N12O18/c1-24(2)40-57(84)72-21-32(74)19-34(72)56(83)68(12)22-37(76)70(14)30(10)60(87)90-36-20-62-45-39(53(80)67-44(36)55(82)64-40)46-51(29(9)49(45)78)91-50-27(7)16-17-33(43(50)63-46)52(79)66-42-31(11)89-61(88)47(26(5)6)71(15)38(77)23-69(13)59(86)48-35(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,66,79)(H,67,80)/t28-,30-,31+,34-,35-,36+,40+,41+,42-,44-,47-,48-/m0/s1
InChIKeyAEIHQKDZICOEDE-JLBKHAGDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19156308)
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 Y5 (CHEBI:201977) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(1S,20R,23S,29S,35R)-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]-11,15,23,24,27-pentamethyl-3,16,22,25,28,31,34,37-octaoxo-35-propan-2-yl-13,21-dioxa-2,6,18,24,27,33,36-heptazahexacyclo[18.17.0.04,17.05,14.07,12.029,33]heptatriaconta-4(17),5,7,9,11,14-hexaene-8-carboxamide
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