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CHEBI:234324 - iso-mithramycin

ChEBI IDCHEBI:234324
ChEBI Nameiso-mithramycin
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC52H76O24
Net Charge0
Average Mass1085.156
Monoisotopic Mass1084.47265
SMILES[H][C@@]1([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
WURCSWURCS=2.0/3,5,4/[ad122m-1b_1-5][ad112m-1b_1-5][ad622m-1b_1-5_3*C]/1-1-1-2-3/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^SC^SCC^SC^RC/20O/19O/18=O/17OC/16C^RO*2/27C($8/7)O/30=O_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50-,51-,52+/m1/s1
InChIKeyCFCUWKMKBJTWLW-HVYJJLEASA-N
ChEBI Ontology
Outgoing Relation(s)
iso-mithramycin (CHEBI:234324) is a aureolic acid (CHEBI:52513)
iso-mithramycin (CHEBI:234324) is a oligosaccharide (CHEBI:50699)
iso-mithramycin (CHEBI:234324) is a secondary α-hydroxy ketone (CHEBI:2468)
Synonym  Source
iso-MTMSUBMITTER
UniProt Name  Source
iso-mithramycinUniProt
Citations