Microginin T2 (CHEBI:211461)

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CHEBI:211461 - Microginin T2

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ChEBI ID	CHEBI:211461
ChEBI Name	Microginin T2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H51N5O9
Net Charge	0
Average Mass	697.830
Monoisotopic Mass	697.36868
SMILES	CCCCCCCC(N)C(O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI	InChI=1S/C36H51N5O9/c1-3-4-5-6-7-9-27(37)31(44)34(47)38-22(2)35(48)41-19-8-10-30(41)33(46)39-28(20-23-11-15-25(42)16-12-23)32(45)40-29(36(49)50)21-24-13-17-26(43)18-14-24/h11-18,22,27-31,42-44H,3-10,19-21,37H2,1-2H3,(H,38,47)(H,39,46)(H,40,45)(H,49,50)/t22-,27?,28-,29-,30-,31?/m0/s1
InChIKey	LHYLVKUSFWTIOX-BPZBSLGFSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Microginin T2 (CHEBI:211461) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(3-amino-2-hydroxydecanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Manual Xrefs	Databases
78437981	ChemSpider