Azinothricin (CHEBI:222544)

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CHEBI:222544 - Azinothricin

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ChEBI ID	CHEBI:222544
ChEBI Name	Azinothricin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C49H80N8O15
Net Charge	0
Average Mass	1021.220
Monoisotopic Mass	1020.57431
SMILES	C/C=C(\C)C(=O)[C@@H](/C=C(\C)[C@@H]1O[C@@](O)([C@](O)(CC)C(=O)N[C@@H]2C(=O)N3NCCC[C@H]3C(=O)N(O)[C@H](COC)C(=O)N(C)[C@H](C)C(=O)N3NCCC[C@@H]3C(=O)N[C@@H]([C@H](C)O)C(=O)O[C@@H]2C(C)C)CC[C@H]1C)CC
InChI	InChI=1S/C49H80N8O15/c1-13-27(6)38(59)32(14-2)24-29(8)40-28(7)20-21-49(68,72-40)48(67,15-3)47(66)53-37-39(26(4)5)71-46(65)36(31(10)58)52-41(60)33-18-16-22-50-55(33)42(61)30(9)54(11)43(62)35(25-70-12)57(69)44(63)34-19-17-23-51-56(34)45(37)64/h13,24,26,28,30-37,39-40,50-51,58,67-69H,14-23,25H2,1-12H3,(H,52,60)(H,53,66)/b27-13+,29-24+/t28-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,48+,49-/m1/s1
InChIKey	SWYLPIMCJADFNO-DUKDDWNZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3753967)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Azinothricin (CHEBI:222544) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2R)-2-[(2R,5R,6R)-6-[(2E,4R,6E)-4-ethyl-6-methyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[(3R,6R,9S,16S,17R,20S,23R)-7-hydroxy-20-[(1S)-1-hydroxyethyl]-6-(methoxymethyl)-3,4-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]butanamide

Manual Xrefs	Databases
78443020	ChemSpider