Polyoxin H (CHEBI:218844)

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CHEBI:218844 - Polyoxin H

Default Structure

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ChEBI ID	CHEBI:218844
ChEBI Name	Polyoxin H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32N6O13
Net Charge	0
Average Mass	600.538
Monoisotopic Mass	600.20274
SMILES	C/C=C1\CN(C(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)[C@H]2O[C@@H](n3cc(C)c(=O)nc3=O)[C@H](O)[C@@H]2O)[C@@H]1C(=O)O
InChI	InChI=1S/C23H32N6O13/c1-3-8-5-28(12(8)21(37)38)19(36)11(26-18(35)10(24)13(31)9(30)6-41-22(25)39)16-14(32)15(33)20(42-16)29-4-7(2)17(34)27-23(29)40/h3-4,9-16,20,30-33H,5-6,24H2,1-2H3,(H2,25,39)(H,26,35)(H,37,38)(H,27,34,40)/b8-3+/t9-,10-,11-,12-,13+,14-,15+,16+,20+/m0/s1
InChIKey	QRXHXAYQBZIPSH-XGYOSQDHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (5358618)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Polyoxin H (CHEBI:218844) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S,3E)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid