BBM-928 B (CHEBI:223527)

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CHEBI:223527 - BBM-928 B

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ChEBI ID	CHEBI:223527
ChEBI Name	BBM-928 B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C62H76N14O23
Net Charge	0
Average Mass	1385.365
Monoisotopic Mass	1384.52077
SMILES	COc1ccc2nc(C(=O)N[C@@H]3COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4[C@@H](O)CC=NN4C(=O)[C@H](NC(=O)c4nc5ccc(OC)cc5cc4O)COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4[C@@H](OC(C)=O)CC=NN4C3=O)c(O)cc2c1
InChI	InChI=1S/C62H76N14O23/c1-30(77)99-42-17-19-66-76-50(42)56(88)64-25-44(82)72(7)27-46(84)74(9)51(61(2,3)93)59(91)97-28-37(69-53(85)47-40(79)22-31-20-33(95-10)12-14-35(31)67-47)57(89)75-49(39(78)16-18-65-75)55(87)63-24-43(81)71(6)26-45(83)73(8)52(62(4,5)94)60(92)98-29-38(58(76)90)70-54(86)48-41(80)23-32-21-34(96-11)13-15-36(32)68-48/h12-15,18-23,37-39,42,49-52,78-80,93-94H,16-17,24-29H2,1-11H3,(H,63,87)(H,64,88)(H,69,85)(H,70,86)/t37-,38-,39+,42+,49+,50+,51-,52-/m1/s1
InChIKey	HIWMCVYLBVFQQN-VBOHDVKSSA-N

Species of Metabolite	Component	Source	Comments
Actinomadura (ncbitaxon:1988)	-	PubMed (7451357)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	BBM-928 B (CHEBI:223527) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
[(3R,7S,16S,17S,23R,27S,36S,37S)-37-hydroxy-3,23-bis[(3-hydroxy-6-methoxyquinoline-2-carbonyl)amino]-7,27-bis(2-hydroxypropan-2-yl)-8,11,28,31-tetramethyl-2,6,9,12,15,22,26,29,32,35-decaoxo-5,25-dioxa-1,8,11,14,20,21,28,31,34,40-decazatricyclo[34.4.0.016,21]tetraconta-19,39-dien-17-yl] acetate

Manual Xrefs	Databases
17287387	ChemSpider