Reblastatin (CHEBI:208919)

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CHEBI:208919 - Reblastatin

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ChEBI ID	CHEBI:208919
ChEBI Name	Reblastatin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H44N2O8
Net Charge	0
Average Mass	548.677
Monoisotopic Mass	548.30977
SMILES	COc1c(O)cc2cc1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)CC/C=C(\C)C(=O)N2
InChI	InChI=1S/C29H44N2O8/c1-16-11-20-14-21(15-22(32)27(20)38-7)31-28(34)17(2)9-8-10-23(36-5)26(39-29(30)35)19(4)13-18(3)25(33)24(12-16)37-6/h9,13-16,18,23-26,32-33H,8,10-12H2,1-7H3,(H2,30,35)(H,31,34)/b17-9+,19-13+/t16-,18+,23+,24+,25-,26+/m1/s1
InChIKey	VFJOOSVDHSUNKR-DQJDZTSCSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (11213294)

ChEBI Ontology

Outgoing Relation(s)
	Reblastatin (CHEBI:208919) is a azamacrocycle (CHEBI:52898)
	Reblastatin (CHEBI:208919) is a keratan 6'-sulfate (CHEBI:18331)

IUPAC Name
[(4E,8S,9S,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate

Manual Xrefs	Databases
7983315	ChemSpider