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CHEBI:225856 - Trikoramide A

ChEBI IDCHEBI:225856
ChEBI NameTrikoramide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H97N11O10
Net Charge0
Average Mass1228.591
Monoisotopic Mass1227.74199
SMILESCC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N4CCCC4C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C68H97N11O10/c1-39(2)28-29-68-38-55-61(84)69-47(34-40(3)4)57(80)70-50(37-44-20-12-11-13-21-44)64(87)76-31-17-25-52(76)59(82)71-48(35-41(5)6)62(85)75-30-16-24-51(75)58(81)72-49(36-42(7)8)63(86)77-32-18-26-53(77)60(83)74-56(43(9)10)66(89)78-33-19-27-54(78)65(88)79(55)67(68)73-46-23-15-14-22-45(46)68/h11-15,20-23,28,40-43,47-56,67,73H,16-19,24-27,29-38H2,1-10H3,(H,69,84)(H,70,80)(H,71,82)(H,72,81)(H,74,83)/t47-,48-,49-,50-,51-,52?,53-,54-,55-,56-,67-,68-/m0/s1
InChIKeyMZDZNXTVCVUCNV-SEPHMDQTSA-N
Species of MetaboliteComponentSourceComments
Symploca hydnoides (ncbitaxon:207924) - PubMed (31763840)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trikoramide A (CHEBI:225856) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,9S,12S,18S,21S,27S,36S,39S,42S,44S,52S)-36-benzyl-44-(3-methylbut-2-enyl)-18,27,39-tris(2-methylpropyl)-9-propan-2-yl-1,7,10,16,19,25,28,34,37,40,51-undecazaoctacyclo[40.10.0.03,7.012,16.021,25.030,34.044,52.045,50]dopentaconta-45,47,49-triene-2,8,11,17,20,26,29,35,38,41-decone