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CHEBI:205028 - Microginin T1

ChEBI IDCHEBI:205028
ChEBI NameMicroginin T1
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SubmitterMetaboLights
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FormulaC36H50ClN5O9
Net Charge0
Average Mass732.275
Monoisotopic Mass731.32971
SMILESC[C@H](NC(=O)C(O)C(N)CCCCCCCCl)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C36H50ClN5O9/c1-22(39-34(48)31(45)27(38)8-5-3-2-4-6-18-37)35(49)42-19-7-9-30(42)33(47)40-28(20-23-10-14-25(43)15-11-23)32(46)41-29(36(50)51)21-24-12-16-26(44)17-13-24/h10-17,22,27-31,43-45H,2-9,18-21,38H2,1H3,(H,39,48)(H,40,47)(H,41,46)(H,50,51)/t22-,27?,28-,29-,30-,31?/m0/s1
InChIKeyXWZAKNSJDTWNRF-BPZBSLGFSA-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)
Microginin T1 (CHEBI:205028) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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