(12S,13S)-N-acetyl-dihydroxylanomycin (CHEBI:206757)

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CHEBI:206757 - (12S,13S)-N-acetyl-dihydroxylanomycin

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ChEBI ID	CHEBI:206757
ChEBI Name	(12S,13S)-N-acetyl-dihydroxylanomycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H31NO7
Net Charge	0
Average Mass	385.457
Monoisotopic Mass	385.21005
SMILES	CO[C@@H]1[C@@H](OC(=O)CNC(C)=O)[C@H](/C(C)=C/C=C/[C@H](O)[C@H](C)O)OC[C@@H]1C
InChI	InChI=1S/C19H31NO7/c1-11(7-6-8-15(23)13(3)21)18-19(17(25-5)12(2)10-26-18)27-16(24)9-20-14(4)22/h6-8,12-13,15,17-19,21,23H,9-10H2,1-5H3,(H,20,22)/b8-6+,11-7+/t12-,13-,15-,17-,18-,19+/m0/s1
InChIKey	RJLXEVMSZRQSPQ-KZYAFLDYSA-N

Species of Metabolite	Component	Source	Comments
Westerdykella dispersa (ncbitaxon:45154)	-	PubMed (28842357)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(12S,13S)-N-acetyl-dihydroxylanomycin (CHEBI:206757) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(2S,3R,4S,5S)-2-[(2E,4E,6S,7S)-6,7-dihydroxyocta-2,4-dien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-acetamidoacetate

Manual Xrefs	Databases
62429254	ChemSpider