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CHEBI:222068 - Cyclothiazomycin C

ChEBI IDCHEBI:222068
ChEBI NameCyclothiazomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H67N19O13S7
Net Charge0
Average Mass1486.785
Monoisotopic Mass1485.32107
SMILESC=C1NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@]2(C)NC(=O)/C(=C/C)NC(=O)[C@@H]3CSC(=N3)[C@H](CC(N)=O)NC(=O)c3ccc(nc3[C@@H](C)NC(=O)[C@@H]3CCCN3C1=O)-c1nc(cs1)C1=N[C@@H](CS1)C(=O)NC(=C)c1nc(cs1)-c1nc(cs1)C1=N[C@H](CS1)C(=O)N[C@H](C(=O)O)CS2
InChIInChI=1S/C60H67N19O13S7/c1-6-29-49(87)78-60(5)59(92)77-30(10-7-8-14-61)45(83)63-17-42(81)64-27(4)57(89)79-15-9-11-40(79)50(88)65-25(2)43-28(44(82)69-32(16-41(62)80)53-71-34(19-94-53)47(85)68-29)12-13-31(67-43)52-75-37(22-97-52)54-72-33(18-95-54)46(84)66-26(3)51-74-36(21-93-51)56-76-38(23-98-56)55-73-35(20-96-55)48(86)70-39(24-99-60)58(90)91/h6,12-13,21-23,25,30,32-35,39-40H,3-4,7-11,14-20,24,61H2,1-2,5H3,(H2,62,80)(H,63,83)(H,64,81)(H,65,88)(H,66,84)(H,68,85)(H,69,82)(H,70,86)(H,77,92)(H,78,87)(H,90,91)/b29-6-/t25-,30+,32+,33+,34+,35-,39+,40+,60+/m1/s1
InChIKeyZUDMXUJOZNUCIR-XRARMUINSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24937678)
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 C (CHEBI:222068) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(12R,27S,30R,33S,36S,48S,51R,55S,59R,62Z)-36-(4-aminobutyl)-55-(2-amino-2-oxoethyl)-62-ethylidene-33,51-dimethyl-15,42-dimethylidene-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