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CHEBI:199638 - Cyclothiazomycin

ChEBI IDCHEBI:199638
ChEBI NameCyclothiazomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H64N18O14S7
Net Charge0
Average Mass1473.742
Monoisotopic Mass1472.28944
SMILESC=C1NC(=O)[C@@H]2CSC(=N2)c2csc(n2)-c2ccc3c(n2)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)/C(=C/C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@](C)(NC(=O)/C(=C/C)NC(=O)[C@@H]2CSC(=N2)[C@H](CC(N)=O)NC3=O)SC[C@@H](C(=O)O)NC(=O)[C@@H]2CSC(=N2)c2csc(n2)-c2csc1n2
InChIInChI=1S/C59H64N18O14S7/c1-7-27-47(85)76-59(6)58(91)75-42(25(5)78)49(87)61-15-40(80)64-28(8-2)56(88)77-13-9-10-38(77)48(86)62-23(3)41-26(43(81)67-30(14-39(60)79)52-69-32(17-93-52)45(83)66-27)11-12-29(65-41)51-73-35(20-96-51)53-70-31(16-94-53)44(82)63-24(4)50-72-34(19-92-50)55-74-36(21-97-55)54-71-33(18-95-54)46(84)68-37(22-98-59)57(89)90/h7-8,11-12,19-21,23,25,30-33,37-38,42,78H,4,9-10,13-18,22H2,1-3,5-6H3,(H2,60,79)(H,61,87)(H,62,86)(H,63,82)(H,64,80)(H,66,83)(H,67,81)(H,68,84)(H,75,91)(H,76,85)(H,89,90)/b27-7-,28-8-/t23-,25-,30+,31+,32+,33+,37+,38+,42+,59+/m1/s1
InChIKeyOGUUCNCVZHZWGA-SKEOMMRSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/0040-4039(91)80859-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclothiazomycin (CHEBI:199638) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(12R,27R,30R,33S,36S,42Z,48S,51R,55S,59R,62Z)-55-(2-amino-2-oxoethyl)-42,62-di(ethylidene)-36-[(1R)-1-hydroxyethyl]-33,51-dimethyl-15-methylidene-13,28,34,37,40,43,49,53,60,63-decaoxo-6,10,17,21,25,32,57-heptathia-14,29,35,38,41,44,50,54,61,64,65,66,67,68,69,70,71-heptadecazadecacyclo[31.19.12.14,52.15,8.19,12.116,19.120,23.124,27.156,59.044,48]henheptaconta-1(52),2,4(66),5(71),7,9(70),16(69),18,20(68),22,24(67),56(65)-dodecaene-30-carboxylic acid
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