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CHEBI:224263 - Tsushimycin

ChEBI IDCHEBI:224263
ChEBI NameTsushimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H93N13O21
Net Charge0
Average Mass1332.474
Monoisotopic Mass1331.66090
SMILESCC(C)CCCCCCC/C=C/CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N2CCCC[C@H]2C(=O)NC(C(C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)CC(=O)N[C@@H]([C@@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NC1C
InChIInChI=1S/C60H93N13O21/c1-30(2)19-14-12-10-8-9-11-13-15-22-40(74)64-37(27-46(82)83)53(86)71-50-34(7)63-54(87)39-21-18-24-73(39)58(91)47(31(3)4)69-57(90)49(33(6)61)67-41(75)28-42(76)68-52(85)36(26-45(80)81)65-43(77)29-62-51(84)35(25-44(78)79)66-56(89)48(32(5)60(93)94)70-55(88)38-20-16-17-23-72(38)59(50)92/h13,15,30-39,47-50H,8-12,14,16-29,61H2,1-7H3,(H,62,84)(H,63,87)(H,64,74)(H,65,77)(H,66,89)(H,67,75)(H,69,90)(H,70,88)(H,71,86)(H,78,79)(H,80,81)(H,82,83)(H,93,94)(H,68,76,85)/b15-13+/t32?,33-,34?,35+,36+,37+,38+,39+,47+,48?,49+,50+/m1/s1
InChIKeyUYDPPDOTOCWOBT-DIKMMNQVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5708315)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tsushimycin (CHEBI:224263) is a peptide (CHEBI:16670)
IUPAC Name 
(3S)-4-[[(3S,7S,13S,16S,23S,29S,35S)-16-[(1R)-1-aminoethyl]-32-(1-carboxyethyl)-23,29-bis(carboxymethyl)-4-methyl-2,6,12,15,18,20,22,25,28,31,34-undecaoxo-13-propan-2-yl-1,5,11,14,17,21,24,27,30,33-decazatricyclo[33.4.0.07,11]nonatriacontan-3-yl]amino]-3-[[(E)-12-methyltridec-3-enoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78445739ChemSpider