FR-134043 (CHEBI:201079)

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CHEBI:201079 - FR-134043

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ChEBI ID	CHEBI:201079
ChEBI Name	FR-134043
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C47H63N9O19S2
Net Charge	0
Average Mass	1122.199
Monoisotopic Mass	1121.36816
SMILES	C/C=C1\NC(=O)C2NC(=O)C(NC(=O)C(C)C)CCCNC(=O)Nc3cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc3C[C@@H](C(=O)NC(C(C)C)C(=O)OC2C)N(C)C(=O)C(Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
InChI	InChI=1S/C47H63N9O19S2/c1-8-28-40(59)51-30-16-17-36(57)56(44(30)63)33(19-26-13-10-9-11-14-26)45(64)55(7)32-20-27-21-34(74-76(67,68)69)35(75-77(70,71)72)22-31(27)52-47(66)48-18-12-15-29(50-39(58)24(4)5)41(60)54-38(43(62)49-28)25(6)73-46(65)37(23(2)3)53-42(32)61/h8-11,13-14,21-25,29-30,32-33,36-38,57H,12,15-20H2,1-7H3,(H,49,62)(H,50,58)(H,51,59)(H,53,61)(H,54,60)(H2,48,52,66)(H,67,68,69)(H,70,71,72)/b28-8-/t25?,29?,30-,32-,33?,36+,37?,38?/m0/s1
InChIKey	RETKWIVQHNMQFV-GMBPIDLWSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (10784028)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	FR-134043 (CHEBI:201079) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
[(1S,21Z,24S,27R)-29-benzyl-21-ethylidene-27-hydroxy-31,37-dimethyl-15-(2-methylpropanoylamino)-10,16,19,22,30,32,35,38-octaoxo-34-propan-2-yl-5-sulooxy-36-oxa-9,11,17,20,23,28,31,33-octazatetracyclo[16.13.6.124,28.03,8]octatriaconta-3,5,7-trien-6-yl] hydrogen sulate

Manual Xrefs	Databases
78445080	ChemSpider