Microcolin I (CHEBI:225354)

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CHEBI:225354 - Microcolin I

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ChEBI ID	CHEBI:225354
ChEBI Name	Microcolin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H63N5O8
Net Charge	0
Average Mass	717.949
Monoisotopic Mass	717.46766
SMILES	CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@@H](C)OC(C)=O
InChI	InChI=1S/C38H63N5O8/c1-12-13-14-15-17-25(6)35(47)40(10)30(22-23(2)3)34(46)39-32(27(8)51-28(9)44)37(49)41(11)33(24(4)5)38(50)42-21-16-18-29(42)36(48)43-26(7)19-20-31(43)45/h19-20,23-27,29-30,32-33H,12-18,21-22H2,1-11H3,(H,39,46)/t25-,26+,27-,29+,30+,32+,33+/m1/s1
InChIKey	AHUBGMIKOUFGDE-SIMQFNBDSA-N

Species of Metabolite	Component	Source	Comments
Moorena producens (ncbitaxon:1155739)	-	PubMed (31468974)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microcolin I (CHEBI:225354) is a peptide (CHEBI:16670)

IUPAC Name
[(2R,3S)-3-[[(2S)-4-methyl-2-[methyl-[(2R)-2-methyloctanoyl]amino]pentanoyl]amino]-4-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutan-2-yl] acetate

Manual Xrefs	Databases
81163321	ChemSpider