Mitsoamide (CHEBI:219192)

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CHEBI:219192 - Mitsoamide

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ChEBI ID	CHEBI:219192
ChEBI Name	Mitsoamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C55H95N9O11
Net Charge	0
Average Mass	1058.417
Monoisotopic Mass	1057.71510
SMILES	CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CC(CC(C)CC(CC(=O)NCCCCCC(N)C(=O)NC1CCCCN1)OC)OC)C(C)C)C(=O)NC(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C(=O)OC)[C@@H](C)CC
InChI	InChI=1S/C55H95N9O11/c1-13-36(6)48(53(70)59-38(8)50(67)60-43(31-39-23-17-15-18-24-39)54(71)64(9)49(37(7)14-2)55(72)75-12)63-52(69)47(34(3)4)62-46(66)33-41(74-11)30-35(5)29-40(73-10)32-45(65)58-28-21-16-19-25-42(56)51(68)61-44-26-20-22-27-57-44/h15,17-18,23-24,34-38,40-44,47-49,57H,13-14,16,19-22,25-33,56H2,1-12H3,(H,58,65)(H,59,70)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35?,36-,37-,38?,40?,41?,42?,43+,44?,47-,48-,49-/m0/s1
InChIKey	OCWCDHLQBIMUAZ-NRRJZDTMSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	DOI (10.1351/pac200779040593)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Mitsoamide (CHEBI:219192) is a oligopeptide (CHEBI:25676)

IUPAC Name
methyl (2S,3S)-2-[[(2R)-2-[2-[[(2S,3S)-2-[[(2S)-2-[[9-[[6-amino-7-oxo-7-(piperidin-2-ylamino)heptyl]amino]-3,7-dimethoxy-5-methyl-9-oxononanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-3-phenylpropanoyl]-methylamino]-3-methylpentanoate

Manual Xrefs	Databases
78445541	ChemSpider