Microcolin E (CHEBI:225335)

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CHEBI:225335 - Microcolin E

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ChEBI ID	CHEBI:225335
ChEBI Name	Microcolin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H63N5O8
Net Charge	0
Average Mass	729.960
Monoisotopic Mass	729.46766
SMILES	CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](C=C(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/C39H63N5O8/c1-13-14-16-25(6)22-26(7)36(48)41(11)31(21-23(2)3)35(47)40-33(28(9)52-29(10)45)38(50)42(12)34(24(4)5)39(51)43-20-15-17-30(43)37(49)44-27(8)18-19-32(44)46/h18-19,21,24-28,30-31,33-34H,13-17,20,22H2,1-12H3,(H,40,47)/t25-,26-,27+,28-,30+,31+,33+,34+/m1/s1
InChIKey	IZGRARLNRPFDMM-APCQCXEZSA-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 E (CHEBI:225335) is a peptide (CHEBI:16670)

IUPAC Name
[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpent-3-enoyl]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
81163317	ChemSpider