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CHEBI:220644 - Tridecaptin M

ChEBI IDCHEBI:220644
ChEBI NameTridecaptin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H121N17O16
Net Charge0
Average Mass1456.841
Monoisotopic Mass1455.91772
SMILESC=C(N[C@@H](CO)C(=O)O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC[C@@H](CCN)NC[C@H](CCN)NC(=O)[C@H](CC)NC(=O)[C@@H](Cc1cnc2ccccc12)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CCN)NC(=O)CNC(=O)CCCC[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C70H121N17O16/c1-11-40(6)20-16-19-23-56(90)76-36-57(91)81-52(28-31-73)63(95)78-37-58(92)82-54(38-88)67(99)85-53(32-45-33-75-50-22-18-17-21-48(45)50)66(98)83-49(15-5)64(96)80-47(27-30-72)35-74-46(26-29-71)34-77-61(42(8)13-3)68(100)84-51(24-25-59(93)94)65(97)87-62(43(9)14-4)69(101)86-60(41(7)12-2)44(10)79-55(39-89)70(102)103/h17-18,21-22,33,40-43,46-47,49,51-55,60-62,74-75,77,79,88-89H,10-16,19-20,23-32,34-39,71-73H2,1-9H3,(H,76,90)(H,78,95)(H,80,96)(H,81,91)(H,82,92)(H,83,98)(H,84,100)(H,85,99)(H,86,101)(H,87,97)(H,93,94)(H,102,103)/t40-,41-,42-,43-,46+,47-,49-,51-,52+,53+,54+,55-,60+,61-,62-/m0/s1
InChIKeyMNHWBPYJBDSDFA-SEQVZXRKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tridecaptin M (CHEBI:220644) is a polypeptide (CHEBI:15841)