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CHEBI:198231 - Micropeptin T2

ChEBI IDCHEBI:198231
ChEBI NameMicropeptin T2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC52H73N9O12
Net Charge0
Average Mass1016.207
Monoisotopic Mass1015.53787
SMILESCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2cnc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C52H73N9O12/c1-6-7-9-21-41(62)55-37(23-25-43(64)65)47(67)59-45-31(4)73-52(72)44(30(2)3)58-48(68)39(28-33-29-54-35-19-13-12-18-34(33)35)60(5)51(71)40(27-32-16-10-8-11-17-32)61-42(63)24-22-38(50(61)70)57-46(66)36(56-49(45)69)20-14-15-26-53/h8,10-13,16-19,29-31,36-40,42,44-45,54,63H,6-7,9,14-15,20-28,53H2,1-5H3,(H,55,62)(H,56,69)(H,57,66)(H,58,68)(H,59,67)(H,64,65)/t31-,36+,37+,38+,39+,40+,42-,44+,45+/m1/s1
InChIKeyDZYIOZFQWKUHBQ-WXCLYRHNSA-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)
Micropeptin T2 (CHEBI:198231) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4S)-5-[[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-aminobutyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(hexanoylamino)-5-oxopentanoic acid
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