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CHEBI:217619 - TP-1161

ChEBI IDCHEBI:217619
ChEBI NameTP-1161
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H47N15O13S3
Net Charge0
Average Mass1162.219
Monoisotopic Mass1161.26399
SMILESC=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1csc(n1)[C@H](C)NC(=O)c1csc(n1)CNC(=O)c1nc(oc1C)/C(=C\C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c1csc-2n1)C(=O)NCC(C)=O
InChIInChI=1S/C50H47N15O13S3/c1-10-28-48-65-36(26(9)78-48)45(75)52-14-34-58-31(16-79-34)42(72)57-24(7)49-62-32(17-80-49)43(73)55-22(5)40(70)56-23(6)47-61-30(15-77-47)37-27(50-63-33(18-81-50)44(74)64-35(25(8)67)46(76)60-28)11-12-29(59-37)41(71)54-21(4)39(69)53-20(3)38(68)51-13-19(2)66/h10-12,15-18,24-25,35,67H,3-6,13-14H2,1-2,7-9H3,(H,51,68)(H,52,75)(H,53,69)(H,54,71)(H,55,73)(H,56,70)(H,57,72)(H,60,76)(H,64,74)/b28-10+/t24-,25+,35-/m0/s1
InChIKeyYGUKQAWJFUHKHO-SLBZEGPGSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (20562278)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
TP-1161 (CHEBI:217619) is a peptide (CHEBI:16670)
IUPAC Name 
(14S,17E,31S)-17-ethylidene-14-[(1R)-1-hydroxyethyl]-20,31-dimethyl-38,41-dimethylidene-12,15,22,29,36,39-hexaoxo-N-[3-oxo-3-[[3-oxo-3-(2-oxopropylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-19,43-dioxa-9,26,33-trithia-3,13,16,23,30,37,40,45,46,47,48,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridecaene-4-carboxamide
Manual XrefsDatabases
27025017ChemSpider